Index

_

__init__() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) (matminer.data_retrieval.retrieve_MDF.MDFDataRetrieval method) (matminer.data_retrieval.retrieve_MongoDB.MongoDataRetrieval method) (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method) (matminer.data_retrieval.retrieve_MPDS.APIError method) (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval method) (matminer.featurizers.bandstructure.BandFeaturizer method) (matminer.featurizers.bandstructure.BranchPointEnergy method) (matminer.featurizers.base.MultipleFeaturizer method) (matminer.featurizers.base.StackedFeaturizer method) (matminer.featurizers.composition.alloy.Miedema method) (matminer.featurizers.composition.alloy.WenAlloys method) (matminer.featurizers.composition.alloy.YangSolidSolution method) (matminer.featurizers.composition.composite.ElementProperty method) (matminer.featurizers.composition.composite.Meredig method) (matminer.featurizers.composition.element.ElementFraction method) (matminer.featurizers.composition.element.Stoichiometry method) (matminer.featurizers.composition.element.TMetalFraction method) (matminer.featurizers.composition.ion.ElectronAffinity method) (matminer.featurizers.composition.ion.ElectronegativityDiff method) (matminer.featurizers.composition.ion.IonProperty method) (matminer.featurizers.composition.ion.OxidationStates method) (matminer.featurizers.composition.orbital.ValenceOrbital method) (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) (matminer.featurizers.composition.thermo.CohesiveEnergy method) (matminer.featurizers.composition.thermo.CohesiveEnergyMP method) (matminer.featurizers.conversions.ASEAtomstoStructure method) (matminer.featurizers.conversions.CompositionToOxidComposition method) (matminer.featurizers.conversions.CompositionToStructureFromMP method) (matminer.featurizers.conversions.ConversionFeaturizer method) (matminer.featurizers.conversions.DictToObject method) (matminer.featurizers.conversions.JsonToObject method) (matminer.featurizers.conversions.PymatgenFunctionApplicator method) (matminer.featurizers.conversions.StrToComposition method) (matminer.featurizers.conversions.StructureToComposition method) (matminer.featurizers.conversions.StructureToIStructure method) (matminer.featurizers.conversions.StructureToOxidStructure method) (matminer.featurizers.dos.DopingFermi method) (matminer.featurizers.dos.DosAsymmetry method) (matminer.featurizers.dos.DOSFeaturizer method) (matminer.featurizers.dos.Hybridization method) (matminer.featurizers.dos.SiteDOS method) (matminer.featurizers.function.FunctionFeaturizer method) (matminer.featurizers.site.bonding.AverageBondAngle method) (matminer.featurizers.site.bonding.AverageBondLength method) (matminer.featurizers.site.bonding.BondOrientationalParameter method) (matminer.featurizers.site.chemical.ChemicalSRO method) (matminer.featurizers.site.chemical.EwaldSiteEnergy method) (matminer.featurizers.site.chemical.LocalPropertyDifference method) (matminer.featurizers.site.chemical.SiteElementalProperty method) (matminer.featurizers.site.external.SOAP method) (matminer.featurizers.site.fingerprint.AGNIFingerprints method) (matminer.featurizers.site.fingerprint.ChemEnvSiteFingerprint method) (matminer.featurizers.site.fingerprint.CrystalNNFingerprint method) (matminer.featurizers.site.fingerprint.OPSiteFingerprint method) (matminer.featurizers.site.fingerprint.VoronoiFingerprint method) (matminer.featurizers.site.misc.CoordinationNumber method) (matminer.featurizers.site.misc.IntersticeDistribution method) (matminer.featurizers.site.rdf.AngularFourierSeries method) (matminer.featurizers.site.rdf.GaussianSymmFunc method) (matminer.featurizers.site.rdf.GeneralizedRadialDistributionFunction method) (matminer.featurizers.structure.bonding.BagofBonds method) (matminer.featurizers.structure.bonding.BondFractions method) (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) (matminer.featurizers.structure.bonding.MinimumRelativeDistances method) (matminer.featurizers.structure.bonding.StructuralHeterogeneity method) (matminer.featurizers.structure.composite.JarvisCFID method) (matminer.featurizers.structure.matrix.CoulombMatrix method) (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) (matminer.featurizers.structure.matrix.SineCoulombMatrix method) (matminer.featurizers.structure.misc.EwaldEnergy method) (matminer.featurizers.structure.misc.StructureComposition method) (matminer.featurizers.structure.misc.XRDPowderPattern method) (matminer.featurizers.structure.order.ChemicalOrdering method) (matminer.featurizers.structure.order.DensityFeatures method) (matminer.featurizers.structure.order.StructuralComplexity method) (matminer.featurizers.structure.rdf.ElectronicRadialDistributionFunction method) (matminer.featurizers.structure.rdf.PartialRadialDistributionFunction method) (matminer.featurizers.structure.rdf.RadialDistributionFunction method) (matminer.featurizers.structure.sites.PartialsSiteStatsFingerprint method) (matminer.featurizers.structure.sites.SiteStatsFingerprint method) (matminer.featurizers.structure.symmetry.Dimensionality method) (matminer.featurizers.structure.symmetry.GlobalSymmetryFeatures method) (matminer.featurizers.tests.test_base.MultiArgs2 method) (matminer.featurizers.utils.grdf.Bessel method) (matminer.featurizers.utils.grdf.Cosine method) (matminer.featurizers.utils.grdf.Gaussian method) (matminer.featurizers.utils.grdf.Histogram method) (matminer.featurizers.utils.grdf.Sine method) (matminer.utils.data.CohesiveEnergyData method) (matminer.utils.data.DemlData method) (matminer.utils.data.IUCrBondValenceData method) (matminer.utils.data.MagpieData method) (matminer.utils.data.MatscholarElementData method) (matminer.utils.data.MEGNetElementData method) (matminer.utils.data.MixingEnthalpy method) (matminer.utils.data.PymatgenData method) (matminer.utils.pipeline.DropExcluded method) (matminer.utils.pipeline.ItemSelector method)

A

AbstractData (class in matminer.utils.data) AbstractPairwise (class in matminer.featurizers.utils.grdf) AFLOWDataRetrieval (class in matminer.data_retrieval.retrieve_AFLOW) AFLOWDataRetrievalTest (class in matminer.data_retrieval.tests.test_retrieve_AFLOW) AGNIFingerprints (class in matminer.featurizers.site.fingerprint) all_features (matminer.featurizers.structure.symmetry.GlobalSymmetryFeatures attribute) AlloyFeaturizersTest (class in matminer.featurizers.composition.tests.test_alloy) analyze_area_interstice() (matminer.featurizers.site.misc.IntersticeDistribution static method) analyze_dist_interstices() (matminer.featurizers.site.misc.IntersticeDistribution static method) analyze_vol_interstice() (matminer.featurizers.site.misc.IntersticeDistribution static method) AngularFourierSeries (class in matminer.featurizers.site.rdf) api_link() (matminer.data_retrieval.retrieve_AFLOW.AFLOWDataRetrieval method) (matminer.data_retrieval.retrieve_base.BaseDataRetrieval method) (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) (matminer.data_retrieval.retrieve_MDF.MDFDataRetrieval method) (matminer.data_retrieval.retrieve_MongoDB.MongoDataRetrieval method) (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method) (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval method)

APIError ASEAtomstoStructure (class in matminer.featurizers.conversions) assertDictsAlmostEqual() (matminer.utils.tests.test_io.PymatgenTestExtended static method) AtomicOrbitals (class in matminer.featurizers.composition.orbital) AtomicPackingEfficiency (class in matminer.featurizers.composition.packing) AverageBondAngle (class in matminer.featurizers.site.bonding) AverageBondLength (class in matminer.featurizers.site.bonding) avg_dev() (matminer.featurizers.utils.stats.PropertyStats static method)

B

bag() (matminer.featurizers.structure.bonding.BagofBonds method) BagofBonds (class in matminer.featurizers.structure.bonding) BandCenter (class in matminer.featurizers.composition.element) BandFeaturizer (class in matminer.featurizers.bandstructure) BandstructureFeaturesTest (class in matminer.featurizers.tests.test_bandstructure) BaseDataRetrieval (class in matminer.data_retrieval.retrieve_base)

BaseFeaturizer (class in matminer.featurizers.base) Bessel (class in matminer.featurizers.utils.grdf) BondFractions (class in matminer.featurizers.structure.bonding) BondingStructureTest (class in matminer.featurizers.structure.tests.test_bonding) BondingTest (class in matminer.featurizers.site.tests.test_bonding) BondOrientationalParameter (class in matminer.featurizers.site.bonding) BranchPointEnergy (class in matminer.featurizers.bandstructure)

C

calc_bv_sum() (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) calc_gii_iucr() (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) calc_gii_pymatgen() (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) calc_stat() (matminer.featurizers.utils.stats.PropertyStats static method) CationProperty (class in matminer.featurizers.composition.ion) ChemEnvSiteFingerprint (class in matminer.featurizers.site.fingerprint) ChemicalOrdering (class in matminer.featurizers.structure.order) ChemicalSiteTests (class in matminer.featurizers.site.tests.test_chemical) ChemicalSRO (class in matminer.featurizers.site.chemical) chillouttime (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval attribute) chunksize (matminer.featurizers.base.BaseFeaturizer property) citations() (matminer.data_retrieval.retrieve_AFLOW.AFLOWDataRetrieval method) (matminer.data_retrieval.retrieve_base.BaseDataRetrieval method) (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) (matminer.data_retrieval.retrieve_MDF.MDFDataRetrieval method) (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method) (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval method) (matminer.featurizers.bandstructure.BandFeaturizer method) (matminer.featurizers.bandstructure.BranchPointEnergy method) (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.base.MultipleFeaturizer method) (matminer.featurizers.base.StackedFeaturizer method) (matminer.featurizers.composition.alloy.Miedema method) (matminer.featurizers.composition.alloy.WenAlloys method) (matminer.featurizers.composition.alloy.YangSolidSolution method) (matminer.featurizers.composition.composite.ElementProperty method) (matminer.featurizers.composition.composite.Meredig method) (matminer.featurizers.composition.element.BandCenter method) (matminer.featurizers.composition.element.ElementFraction method) (matminer.featurizers.composition.element.Stoichiometry method) (matminer.featurizers.composition.element.TMetalFraction method) (matminer.featurizers.composition.ion.CationProperty method) (matminer.featurizers.composition.ion.ElectronAffinity method) (matminer.featurizers.composition.ion.ElectronegativityDiff method) (matminer.featurizers.composition.ion.IonProperty method) (matminer.featurizers.composition.ion.OxidationStates method) (matminer.featurizers.composition.orbital.AtomicOrbitals method) (matminer.featurizers.composition.orbital.ValenceOrbital method) (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) (matminer.featurizers.composition.thermo.CohesiveEnergy method) (matminer.featurizers.composition.thermo.CohesiveEnergyMP method) (matminer.featurizers.conversions.CompositionToOxidComposition method) (matminer.featurizers.conversions.CompositionToStructureFromMP method) (matminer.featurizers.conversions.ConversionFeaturizer method) (matminer.featurizers.conversions.DictToObject method) (matminer.featurizers.conversions.JsonToObject method) (matminer.featurizers.conversions.StrToComposition method) (matminer.featurizers.conversions.StructureToComposition method) (matminer.featurizers.conversions.StructureToIStructure method) (matminer.featurizers.conversions.StructureToOxidStructure method) (matminer.featurizers.dos.DopingFermi method) (matminer.featurizers.dos.DosAsymmetry method) (matminer.featurizers.dos.DOSFeaturizer method) (matminer.featurizers.dos.Hybridization method) (matminer.featurizers.dos.SiteDOS method) (matminer.featurizers.function.FunctionFeaturizer method) (matminer.featurizers.site.bonding.AverageBondAngle method) (matminer.featurizers.site.bonding.AverageBondLength method) (matminer.featurizers.site.bonding.BondOrientationalParameter method) (matminer.featurizers.site.chemical.ChemicalSRO method) (matminer.featurizers.site.chemical.EwaldSiteEnergy method) (matminer.featurizers.site.chemical.LocalPropertyDifference method) (matminer.featurizers.site.chemical.SiteElementalProperty method) (matminer.featurizers.site.external.SOAP method) (matminer.featurizers.site.fingerprint.AGNIFingerprints method) (matminer.featurizers.site.fingerprint.ChemEnvSiteFingerprint method) (matminer.featurizers.site.fingerprint.CrystalNNFingerprint method) (matminer.featurizers.site.fingerprint.OPSiteFingerprint method) (matminer.featurizers.site.fingerprint.VoronoiFingerprint method) (matminer.featurizers.site.misc.CoordinationNumber method) (matminer.featurizers.site.misc.IntersticeDistribution method) (matminer.featurizers.site.rdf.AngularFourierSeries method) (matminer.featurizers.site.rdf.GaussianSymmFunc method) (matminer.featurizers.site.rdf.GeneralizedRadialDistributionFunction method) (matminer.featurizers.structure.bonding.BagofBonds method) (matminer.featurizers.structure.bonding.BondFractions method) (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) (matminer.featurizers.structure.bonding.MinimumRelativeDistances method) (matminer.featurizers.structure.bonding.StructuralHeterogeneity method) (matminer.featurizers.structure.composite.JarvisCFID method) (matminer.featurizers.structure.matrix.CoulombMatrix method) (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) (matminer.featurizers.structure.matrix.SineCoulombMatrix method) (matminer.featurizers.structure.misc.EwaldEnergy method) (matminer.featurizers.structure.misc.StructureComposition method) (matminer.featurizers.structure.misc.XRDPowderPattern method) (matminer.featurizers.structure.order.ChemicalOrdering method) (matminer.featurizers.structure.order.DensityFeatures method) (matminer.featurizers.structure.order.MaximumPackingEfficiency method) (matminer.featurizers.structure.order.StructuralComplexity method) (matminer.featurizers.structure.rdf.ElectronicRadialDistributionFunction method) (matminer.featurizers.structure.rdf.PartialRadialDistributionFunction method) (matminer.featurizers.structure.rdf.RadialDistributionFunction method) (matminer.featurizers.structure.sites.SiteStatsFingerprint method) (matminer.featurizers.structure.symmetry.Dimensionality method) (matminer.featurizers.structure.symmetry.GlobalSymmetryFeatures method) (matminer.featurizers.tests.test_base.FittableFeaturizer method) (matminer.featurizers.tests.test_base.MatrixFeaturizer method) (matminer.featurizers.tests.test_base.MultiArgs2 method) (matminer.featurizers.tests.test_base.MultipleFeatureFeaturizer method) (matminer.featurizers.tests.test_base.MultiTypeFeaturizer method) (matminer.featurizers.tests.test_base.SingleFeaturizer method)

CitrineDataRetrieval (class in matminer.data_retrieval.retrieve_Citrine) CitrineDataRetrievalTest (class in matminer.data_retrieval.tests.test_retrieve_Citrine) clean_projection() (in module matminer.data_retrieval.retrieve_MongoDB) CohesiveEnergy (class in matminer.featurizers.composition.thermo) CohesiveEnergyData (class in matminer.utils.data) CohesiveEnergyMP (class in matminer.featurizers.composition.thermo) compile_crystal() (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval static method) CompositeFeaturesTest (class in matminer.featurizers.composition.tests.test_composite) CompositeStructureFeaturesTest (class in matminer.featurizers.structure.tests.test_composite) CompositionFeaturesTest (class in matminer.featurizers.composition.tests.base) CompositionToOxidComposition (class in matminer.featurizers.conversions) CompositionToStructureFromMP (class in matminer.featurizers.conversions) compute_atomic_fraction() (matminer.featurizers.composition.alloy.WenAlloys static method) compute_bv() (matminer.featurizers.structure.bonding.GlobalInstabilityIndex static method) compute_configuration_entropy() (matminer.featurizers.composition.alloy.WenAlloys static method) compute_delta() (matminer.featurizers.composition.alloy.WenAlloys static method) (matminer.featurizers.composition.alloy.YangSolidSolution method) compute_enthalpy() (matminer.featurizers.composition.alloy.WenAlloys method) compute_gamma_radii() (matminer.featurizers.composition.alloy.WenAlloys static method) compute_lambda() (matminer.featurizers.composition.alloy.WenAlloys static method) compute_local_mismatch() (matminer.featurizers.composition.alloy.WenAlloys static method) compute_magpie_summary() (matminer.featurizers.composition.alloy.WenAlloys method) compute_nearest_cluster_distance() (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) compute_omega() (matminer.featurizers.composition.alloy.YangSolidSolution method) compute_prdf() (matminer.featurizers.structure.rdf.PartialRadialDistributionFunction method) compute_pssf() (matminer.featurizers.structure.sites.PartialsSiteStatsFingerprint method) compute_simultaneous_packing_efficiency() (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) compute_strength_local_mismatch_shear() (matminer.featurizers.composition.alloy.WenAlloys static method) compute_weight_fraction() (matminer.featurizers.composition.alloy.WenAlloys static method) ConversionFeaturizer (class in matminer.featurizers.conversions) CoordinationNumber (class in matminer.featurizers.site.misc) Cosine (class in matminer.featurizers.utils.grdf) cosine_cutoff() (matminer.featurizers.site.rdf.GaussianSymmFunc static method) CoulombMatrix (class in matminer.featurizers.structure.matrix) create_cluster_lookup_tool() (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) crystal_idx (matminer.featurizers.structure.symmetry.GlobalSymmetryFeatures attribute) CrystalNNFingerprint (class in matminer.featurizers.site.fingerprint)

D

DataRetrievalTest (class in matminer.datasets.tests.test_dataset_retrieval) DataSetsTest (class in matminer.datasets.tests.test_datasets) DatasetTest (class in matminer.datasets.tests.base) default_properties (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval attribute) deltaH_chem() (matminer.featurizers.composition.alloy.Miedema method) deltaH_elast() (matminer.featurizers.composition.alloy.Miedema method) deltaH_struct() (matminer.featurizers.composition.alloy.Miedema method) deltaH_topo() (matminer.featurizers.composition.alloy.Miedema method) deml_data (matminer.featurizers.composition.element.BandCenter attribute)

DemlData (class in matminer.utils.data) DensityFeatures (class in matminer.featurizers.structure.order) DictToObject (class in matminer.featurizers.conversions) Dimensionality (class in matminer.featurizers.structure.symmetry) DopingFermi (class in matminer.featurizers.dos) DosAsymmetry (class in matminer.featurizers.dos) DOSFeaturesTest (class in matminer.featurizers.tests.test_dos) DOSFeaturizer (class in matminer.featurizers.dos) DropExcluded (class in matminer.utils.pipeline)

E

eigenvalues() (matminer.featurizers.utils.stats.PropertyStats static method) ElectronAffinity (class in matminer.featurizers.composition.ion) ElectronegativityDiff (class in matminer.featurizers.composition.ion) ElectronicRadialDistributionFunction (class in matminer.featurizers.structure.rdf) ElementFeaturesTest (class in matminer.featurizers.composition.tests.test_element) ElementFraction (class in matminer.featurizers.composition.element) ElementProperty (class in matminer.featurizers.composition.composite)

endpoint (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval attribute) enumerate_all_bonds() (matminer.featurizers.structure.bonding.BondFractions method) enumerate_bonds() (matminer.featurizers.structure.bonding.BondFractions method) EwaldEnergy (class in matminer.featurizers.structure.misc) EwaldSiteEnergy (class in matminer.featurizers.site.chemical) exp_dict (matminer.featurizers.function.FunctionFeaturizer property) ExternalSiteTests (class in matminer.featurizers.site.tests.test_external)

F

feature_labels() (matminer.featurizers.bandstructure.BandFeaturizer method) (matminer.featurizers.bandstructure.BranchPointEnergy method) (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.base.MultipleFeaturizer method) (matminer.featurizers.base.StackedFeaturizer method) (matminer.featurizers.composition.alloy.Miedema method) (matminer.featurizers.composition.alloy.WenAlloys method) (matminer.featurizers.composition.alloy.YangSolidSolution method) (matminer.featurizers.composition.composite.ElementProperty method) (matminer.featurizers.composition.composite.Meredig method) (matminer.featurizers.composition.element.BandCenter method) (matminer.featurizers.composition.element.ElementFraction method) (matminer.featurizers.composition.element.Stoichiometry method) (matminer.featurizers.composition.element.TMetalFraction method) (matminer.featurizers.composition.ion.CationProperty method) (matminer.featurizers.composition.ion.ElectronAffinity method) (matminer.featurizers.composition.ion.ElectronegativityDiff method) (matminer.featurizers.composition.ion.IonProperty method) (matminer.featurizers.composition.ion.OxidationStates method) (matminer.featurizers.composition.orbital.AtomicOrbitals method) (matminer.featurizers.composition.orbital.ValenceOrbital method) (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) (matminer.featurizers.composition.thermo.CohesiveEnergy method) (matminer.featurizers.composition.thermo.CohesiveEnergyMP method) (matminer.featurizers.conversions.ConversionFeaturizer method) (matminer.featurizers.dos.DopingFermi method) (matminer.featurizers.dos.DosAsymmetry method) (matminer.featurizers.dos.DOSFeaturizer method) (matminer.featurizers.dos.Hybridization method) (matminer.featurizers.dos.SiteDOS method) (matminer.featurizers.function.FunctionFeaturizer method) (matminer.featurizers.site.bonding.AverageBondAngle method) (matminer.featurizers.site.bonding.AverageBondLength method) (matminer.featurizers.site.bonding.BondOrientationalParameter method) (matminer.featurizers.site.chemical.ChemicalSRO method) (matminer.featurizers.site.chemical.EwaldSiteEnergy method) (matminer.featurizers.site.chemical.LocalPropertyDifference method) (matminer.featurizers.site.chemical.SiteElementalProperty method) (matminer.featurizers.site.external.SOAP method) (matminer.featurizers.site.fingerprint.AGNIFingerprints method) (matminer.featurizers.site.fingerprint.ChemEnvSiteFingerprint method) (matminer.featurizers.site.fingerprint.CrystalNNFingerprint method) (matminer.featurizers.site.fingerprint.OPSiteFingerprint method) (matminer.featurizers.site.fingerprint.VoronoiFingerprint method) (matminer.featurizers.site.misc.CoordinationNumber method) (matminer.featurizers.site.misc.IntersticeDistribution method) (matminer.featurizers.site.rdf.AngularFourierSeries method) (matminer.featurizers.site.rdf.GaussianSymmFunc method) (matminer.featurizers.site.rdf.GeneralizedRadialDistributionFunction method) (matminer.featurizers.structure.bonding.BagofBonds method) (matminer.featurizers.structure.bonding.BondFractions method) (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) (matminer.featurizers.structure.bonding.MinimumRelativeDistances method) (matminer.featurizers.structure.bonding.StructuralHeterogeneity method) (matminer.featurizers.structure.composite.JarvisCFID method) (matminer.featurizers.structure.matrix.CoulombMatrix method) (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) (matminer.featurizers.structure.matrix.SineCoulombMatrix method) (matminer.featurizers.structure.misc.EwaldEnergy method) (matminer.featurizers.structure.misc.StructureComposition method) (matminer.featurizers.structure.misc.XRDPowderPattern method) (matminer.featurizers.structure.order.ChemicalOrdering method) (matminer.featurizers.structure.order.DensityFeatures method) (matminer.featurizers.structure.order.MaximumPackingEfficiency method) (matminer.featurizers.structure.order.StructuralComplexity method) (matminer.featurizers.structure.rdf.ElectronicRadialDistributionFunction method) (matminer.featurizers.structure.rdf.PartialRadialDistributionFunction method) (matminer.featurizers.structure.rdf.RadialDistributionFunction method) (matminer.featurizers.structure.sites.PartialsSiteStatsFingerprint method) (matminer.featurizers.structure.sites.SiteStatsFingerprint method) (matminer.featurizers.structure.symmetry.Dimensionality method) (matminer.featurizers.structure.symmetry.GlobalSymmetryFeatures method) (matminer.featurizers.tests.test_base.FittableFeaturizer method) (matminer.featurizers.tests.test_base.MatrixFeaturizer method) (matminer.featurizers.tests.test_base.MultiArgs2 method) (matminer.featurizers.tests.test_base.MultipleFeatureFeaturizer method) (matminer.featurizers.tests.test_base.MultiTypeFeaturizer method) (matminer.featurizers.tests.test_base.SingleFeaturizer method) featurize() (matminer.featurizers.bandstructure.BandFeaturizer method) (matminer.featurizers.bandstructure.BranchPointEnergy method) (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.base.MultipleFeaturizer method) (matminer.featurizers.base.StackedFeaturizer method) (matminer.featurizers.composition.alloy.Miedema method) (matminer.featurizers.composition.alloy.WenAlloys method) (matminer.featurizers.composition.alloy.YangSolidSolution method) (matminer.featurizers.composition.composite.ElementProperty method) (matminer.featurizers.composition.composite.Meredig method) (matminer.featurizers.composition.element.BandCenter method) (matminer.featurizers.composition.element.ElementFraction method) (matminer.featurizers.composition.element.Stoichiometry method) (matminer.featurizers.composition.element.TMetalFraction method) (matminer.featurizers.composition.ion.CationProperty method) (matminer.featurizers.composition.ion.ElectronAffinity method) (matminer.featurizers.composition.ion.ElectronegativityDiff method) (matminer.featurizers.composition.ion.IonProperty method) (matminer.featurizers.composition.ion.OxidationStates method) (matminer.featurizers.composition.orbital.AtomicOrbitals method) (matminer.featurizers.composition.orbital.ValenceOrbital method) (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) (matminer.featurizers.composition.thermo.CohesiveEnergy method) (matminer.featurizers.composition.thermo.CohesiveEnergyMP method) (matminer.featurizers.conversions.ASEAtomstoStructure method) (matminer.featurizers.conversions.CompositionToOxidComposition method) (matminer.featurizers.conversions.CompositionToStructureFromMP method) (matminer.featurizers.conversions.ConversionFeaturizer method) (matminer.featurizers.conversions.DictToObject method) (matminer.featurizers.conversions.JsonToObject method) (matminer.featurizers.conversions.PymatgenFunctionApplicator method) (matminer.featurizers.conversions.StrToComposition method) (matminer.featurizers.conversions.StructureToComposition method) (matminer.featurizers.conversions.StructureToIStructure method) (matminer.featurizers.conversions.StructureToOxidStructure method) (matminer.featurizers.dos.DopingFermi method) (matminer.featurizers.dos.DosAsymmetry method) (matminer.featurizers.dos.DOSFeaturizer method) (matminer.featurizers.dos.Hybridization method) (matminer.featurizers.dos.SiteDOS method) (matminer.featurizers.function.FunctionFeaturizer method) (matminer.featurizers.site.bonding.AverageBondAngle method) (matminer.featurizers.site.bonding.AverageBondLength method) (matminer.featurizers.site.bonding.BondOrientationalParameter method) (matminer.featurizers.site.chemical.ChemicalSRO method) (matminer.featurizers.site.chemical.EwaldSiteEnergy method) (matminer.featurizers.site.chemical.LocalPropertyDifference method) (matminer.featurizers.site.chemical.SiteElementalProperty method) (matminer.featurizers.site.external.SOAP method) (matminer.featurizers.site.fingerprint.AGNIFingerprints method) (matminer.featurizers.site.fingerprint.ChemEnvSiteFingerprint method) (matminer.featurizers.site.fingerprint.CrystalNNFingerprint method) (matminer.featurizers.site.fingerprint.OPSiteFingerprint method) (matminer.featurizers.site.fingerprint.VoronoiFingerprint method) (matminer.featurizers.site.misc.CoordinationNumber method) (matminer.featurizers.site.misc.IntersticeDistribution method) (matminer.featurizers.site.rdf.AngularFourierSeries method) (matminer.featurizers.site.rdf.GaussianSymmFunc method) (matminer.featurizers.site.rdf.GeneralizedRadialDistributionFunction method) (matminer.featurizers.structure.bonding.BagofBonds method) (matminer.featurizers.structure.bonding.BondFractions method) (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) (matminer.featurizers.structure.bonding.MinimumRelativeDistances method) (matminer.featurizers.structure.bonding.StructuralHeterogeneity method) (matminer.featurizers.structure.composite.JarvisCFID method) (matminer.featurizers.structure.matrix.CoulombMatrix method) (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) (matminer.featurizers.structure.matrix.SineCoulombMatrix method) (matminer.featurizers.structure.misc.EwaldEnergy method) (matminer.featurizers.structure.misc.StructureComposition method) (matminer.featurizers.structure.misc.XRDPowderPattern method) (matminer.featurizers.structure.order.ChemicalOrdering method) (matminer.featurizers.structure.order.DensityFeatures method) (matminer.featurizers.structure.order.MaximumPackingEfficiency method) (matminer.featurizers.structure.order.StructuralComplexity method) (matminer.featurizers.structure.rdf.ElectronicRadialDistributionFunction method) (matminer.featurizers.structure.rdf.PartialRadialDistributionFunction method) (matminer.featurizers.structure.rdf.RadialDistributionFunction method) (matminer.featurizers.structure.sites.PartialsSiteStatsFingerprint method) (matminer.featurizers.structure.sites.SiteStatsFingerprint method) (matminer.featurizers.structure.symmetry.Dimensionality method) (matminer.featurizers.structure.symmetry.GlobalSymmetryFeatures method) (matminer.featurizers.tests.test_base.FittableFeaturizer method) (matminer.featurizers.tests.test_base.MatrixFeaturizer method) (matminer.featurizers.tests.test_base.MultiArgs2 method) (matminer.featurizers.tests.test_base.MultipleFeatureFeaturizer method) (matminer.featurizers.tests.test_base.MultiTypeFeaturizer method) (matminer.featurizers.tests.test_base.SingleFeaturizer method) (matminer.featurizers.tests.test_base.SingleFeaturizerMultiArgs method)

featurize_dataframe() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.conversions.ConversionFeaturizer method) featurize_many() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.base.MultipleFeaturizer method) featurize_wrapper() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.base.MultipleFeaturizer method) find_ideal_cluster_size() (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) FingerprintTests (class in matminer.featurizers.site.tests.test_fingerprint) fit() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.base.MultipleFeaturizer method) (matminer.featurizers.function.FunctionFeaturizer method) (matminer.featurizers.site.chemical.ChemicalSRO method) (matminer.featurizers.site.external.SOAP method) (matminer.featurizers.site.rdf.GeneralizedRadialDistributionFunction method) (matminer.featurizers.structure.bonding.BagofBonds method) (matminer.featurizers.structure.bonding.BondFractions method) (matminer.featurizers.structure.bonding.MinimumRelativeDistances method) (matminer.featurizers.structure.matrix.CoulombMatrix method) (matminer.featurizers.structure.matrix.SineCoulombMatrix method) (matminer.featurizers.structure.misc.StructureComposition method) (matminer.featurizers.structure.rdf.PartialRadialDistributionFunction method) (matminer.featurizers.structure.sites.PartialsSiteStatsFingerprint method) (matminer.featurizers.structure.sites.SiteStatsFingerprint method) (matminer.featurizers.tests.test_base.FittableFeaturizer method) (matminer.utils.pipeline.DropExcluded method) (matminer.utils.pipeline.ItemSelector method) fit_featurize_dataframe() (matminer.featurizers.base.BaseFeaturizer method) FittableFeaturizer (class in matminer.featurizers.tests.test_base) flatten() (matminer.featurizers.utils.stats.PropertyStats static method) flatten_dict() (in module matminer.utils.flatten_dict) FlattenDictTest (class in matminer.utils.tests.test_flatten_dict) from_preset() (matminer.featurizers.composition.composite.ElementProperty class method) (matminer.featurizers.composition.ion.CationProperty class method) (matminer.featurizers.composition.ion.OxidationStates class method) (matminer.featurizers.site.chemical.ChemicalSRO static method) (matminer.featurizers.site.chemical.LocalPropertyDifference static method) (matminer.featurizers.site.chemical.SiteElementalProperty static method) (matminer.featurizers.site.external.SOAP class method) (matminer.featurizers.site.fingerprint.ChemEnvSiteFingerprint static method) (matminer.featurizers.site.fingerprint.CrystalNNFingerprint static method) (matminer.featurizers.site.misc.CoordinationNumber static method) (matminer.featurizers.site.rdf.AngularFourierSeries static method) (matminer.featurizers.site.rdf.GeneralizedRadialDistributionFunction static method) (matminer.featurizers.structure.bonding.BondFractions static method) (matminer.featurizers.structure.sites.SiteStatsFingerprint class method) from_pymongo() (matminer.data_retrieval.retrieve_AFLOW.RetrievalQuery class method) FunctionFeaturizer (class in matminer.featurizers.function)

G

g2() (matminer.featurizers.site.rdf.GaussianSymmFunc static method) g4() (matminer.featurizers.site.rdf.GaussianSymmFunc static method) Gaussian (class in matminer.featurizers.utils.grdf) gaussian_kernel() (in module matminer.utils.kernels) GaussianSymmFunc (class in matminer.featurizers.site.rdf) GeneralizedRadialDistributionFunction (class in matminer.featurizers.site.rdf) generate_expressions_combinations() (in module matminer.featurizers.function) generate_json_files() (in module matminer.utils.tests.test_io) generate_string_expressions() (matminer.featurizers.function.FunctionFeaturizer method) geom_std_dev() (matminer.featurizers.utils.stats.PropertyStats static method) get_all_dataset_info() (in module matminer.datasets.dataset_retrieval) get_all_nearest_neighbors() (in module matminer.utils.caching) get_atom_ofms() (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) get_available_datasets() (in module matminer.datasets.dataset_retrieval) get_bindex_bspin() (matminer.featurizers.bandstructure.BandFeaturizer static method) get_bv_params() (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) (matminer.utils.data.IUCrBondValenceData method) get_cbm_vbm_scores() (in module matminer.featurizers.dos) get_charge_dependent_property() (matminer.utils.data.DemlData method) (matminer.utils.data.OxidationStateDependentData method) (matminer.utils.data.PymatgenData method) get_charge_dependent_property_from_specie() (matminer.utils.data.OxidationStateDependentData method) get_chem() (matminer.featurizers.structure.composite.JarvisCFID method) get_chg() (matminer.featurizers.structure.composite.JarvisCFID method) get_data() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) (matminer.data_retrieval.retrieve_MDF.MDFDataRetrieval method) (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method) (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval method) get_dataframe() (matminer.data_retrieval.retrieve_AFLOW.AFLOWDataRetrieval method) (matminer.data_retrieval.retrieve_base.BaseDataRetrieval method) (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) (matminer.data_retrieval.retrieve_MDF.MDFDataRetrieval method) (matminer.data_retrieval.retrieve_MongoDB.MongoDataRetrieval method) (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method) (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval method)

get_dataset_attribute() (in module matminer.datasets.dataset_retrieval) get_dataset_citations() (in module matminer.datasets.dataset_retrieval) get_dataset_column_description() (in module matminer.datasets.dataset_retrieval) get_dataset_columns() (in module matminer.datasets.dataset_retrieval) get_dataset_description() (in module matminer.datasets.dataset_retrieval) get_dataset_num_entries() (in module matminer.datasets.dataset_retrieval) get_dataset_reference() (in module matminer.datasets.dataset_retrieval) get_distributions() (matminer.featurizers.structure.composite.JarvisCFID method) get_elemental_properties() (matminer.utils.data.AbstractData method) get_elemental_property() (matminer.utils.data.AbstractData method) (matminer.utils.data.CohesiveEnergyData method) (matminer.utils.data.DemlData method) (matminer.utils.data.MagpieData method) (matminer.utils.data.MatscholarElementData method) (matminer.utils.data.MEGNetElementData method) (matminer.utils.data.PymatgenData method) get_equiv_sites() (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) get_ideal_radius_ratio() (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) get_mean_ofm() (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) get_mixing_enthalpy() (matminer.utils.data.MixingEnthalpy method) get_nearest_neighbors() (in module matminer.utils.caching) get_ohv() (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) get_oxidation_states() (matminer.utils.data.DemlData method) (matminer.utils.data.MagpieData method) (matminer.utils.data.OxidationStatesMixin method) (matminer.utils.data.PymatgenData method) get_rdf_bin_labels() (in module matminer.featurizers.structure.rdf) get_relaxed_structure() (matminer.data_retrieval.retrieve_AFLOW.AFLOWDataRetrieval static method) get_single_ofm() (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) get_site_dos_scores() (in module matminer.featurizers.dos) get_structure_ofm() (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) get_value() (in module matminer.data_retrieval.retrieve_Citrine) get_wigner_coeffs() (in module matminer.featurizers.site.bonding) GlobalInstabilityIndex (class in matminer.featurizers.structure.bonding) GlobalSymmetryFeatures (class in matminer.featurizers.structure.symmetry) GRDFTests (class in matminer.featurizers.utils.tests.test_grdf)

H

has_oxidation_states() (in module matminer.featurizers.utils.oxidation) Histogram (class in matminer.featurizers.utils.grdf)

holder_mean() (matminer.featurizers.utils.stats.PropertyStats static method) homogenize_multiindex() (in module matminer.utils.utils) Hybridization (class in matminer.featurizers.dos)

I

ILLEGAL_CHARACTERS (matminer.featurizers.function.FunctionFeaturizer attribute) implementors() (matminer.featurizers.bandstructure.BandFeaturizer method) (matminer.featurizers.bandstructure.BranchPointEnergy method) (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.base.MultipleFeaturizer method) (matminer.featurizers.base.StackedFeaturizer method) (matminer.featurizers.composition.alloy.Miedema method) (matminer.featurizers.composition.alloy.WenAlloys method) (matminer.featurizers.composition.alloy.YangSolidSolution method) (matminer.featurizers.composition.composite.ElementProperty method) (matminer.featurizers.composition.composite.Meredig method) (matminer.featurizers.composition.element.BandCenter method) (matminer.featurizers.composition.element.ElementFraction method) (matminer.featurizers.composition.element.Stoichiometry method) (matminer.featurizers.composition.element.TMetalFraction method) (matminer.featurizers.composition.ion.ElectronAffinity method) (matminer.featurizers.composition.ion.ElectronegativityDiff method) (matminer.featurizers.composition.ion.IonProperty method) (matminer.featurizers.composition.ion.OxidationStates method) (matminer.featurizers.composition.orbital.AtomicOrbitals method) (matminer.featurizers.composition.orbital.ValenceOrbital method) (matminer.featurizers.composition.packing.AtomicPackingEfficiency method) (matminer.featurizers.composition.thermo.CohesiveEnergy method) (matminer.featurizers.composition.thermo.CohesiveEnergyMP method) (matminer.featurizers.conversions.ASEAtomstoStructure method) (matminer.featurizers.conversions.CompositionToOxidComposition method) (matminer.featurizers.conversions.CompositionToStructureFromMP method) (matminer.featurizers.conversions.ConversionFeaturizer method) (matminer.featurizers.conversions.DictToObject method) (matminer.featurizers.conversions.JsonToObject method) (matminer.featurizers.conversions.PymatgenFunctionApplicator method) (matminer.featurizers.conversions.StrToComposition method) (matminer.featurizers.conversions.StructureToComposition method) (matminer.featurizers.conversions.StructureToIStructure method) (matminer.featurizers.conversions.StructureToOxidStructure method) (matminer.featurizers.dos.DopingFermi method) (matminer.featurizers.dos.DosAsymmetry method) (matminer.featurizers.dos.DOSFeaturizer method) (matminer.featurizers.dos.Hybridization method) (matminer.featurizers.dos.SiteDOS method) (matminer.featurizers.function.FunctionFeaturizer method) (matminer.featurizers.site.bonding.AverageBondAngle method) (matminer.featurizers.site.bonding.AverageBondLength method) (matminer.featurizers.site.bonding.BondOrientationalParameter method) (matminer.featurizers.site.chemical.ChemicalSRO method) (matminer.featurizers.site.chemical.EwaldSiteEnergy method) (matminer.featurizers.site.chemical.LocalPropertyDifference method) (matminer.featurizers.site.chemical.SiteElementalProperty method) (matminer.featurizers.site.external.SOAP method) (matminer.featurizers.site.fingerprint.AGNIFingerprints method) (matminer.featurizers.site.fingerprint.ChemEnvSiteFingerprint method) (matminer.featurizers.site.fingerprint.CrystalNNFingerprint method) (matminer.featurizers.site.fingerprint.OPSiteFingerprint method) (matminer.featurizers.site.fingerprint.VoronoiFingerprint method) (matminer.featurizers.site.misc.CoordinationNumber method) (matminer.featurizers.site.misc.IntersticeDistribution method) (matminer.featurizers.site.rdf.AngularFourierSeries method) (matminer.featurizers.site.rdf.GaussianSymmFunc method) (matminer.featurizers.site.rdf.GeneralizedRadialDistributionFunction method) (matminer.featurizers.structure.bonding.BagofBonds method) (matminer.featurizers.structure.bonding.BondFractions method) (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) (matminer.featurizers.structure.bonding.MinimumRelativeDistances method) (matminer.featurizers.structure.bonding.StructuralHeterogeneity method) (matminer.featurizers.structure.composite.JarvisCFID method) (matminer.featurizers.structure.matrix.CoulombMatrix method) (matminer.featurizers.structure.matrix.OrbitalFieldMatrix method) (matminer.featurizers.structure.matrix.SineCoulombMatrix method) (matminer.featurizers.structure.misc.EwaldEnergy method) (matminer.featurizers.structure.misc.StructureComposition method) (matminer.featurizers.structure.misc.XRDPowderPattern method) (matminer.featurizers.structure.order.ChemicalOrdering method) (matminer.featurizers.structure.order.DensityFeatures method) (matminer.featurizers.structure.order.MaximumPackingEfficiency method) (matminer.featurizers.structure.order.StructuralComplexity method) (matminer.featurizers.structure.rdf.ElectronicRadialDistributionFunction method) (matminer.featurizers.structure.rdf.PartialRadialDistributionFunction method) (matminer.featurizers.structure.rdf.RadialDistributionFunction method) (matminer.featurizers.structure.sites.PartialsSiteStatsFingerprint method) (matminer.featurizers.structure.sites.SiteStatsFingerprint method) (matminer.featurizers.structure.symmetry.Dimensionality method) (matminer.featurizers.structure.symmetry.GlobalSymmetryFeatures method) (matminer.featurizers.tests.test_base.FittableFeaturizer method) (matminer.featurizers.tests.test_base.MatrixFeaturizer method) (matminer.featurizers.tests.test_base.MultiArgs2 method) (matminer.featurizers.tests.test_base.MultipleFeatureFeaturizer method) (matminer.featurizers.tests.test_base.MultiTypeFeaturizer method) (matminer.featurizers.tests.test_base.SingleFeaturizer method)

initialize_pairwise_function() (in module matminer.featurizers.utils.grdf) interpolate_soft_anions() (matminer.utils.data.IUCrBondValenceData method) IntersticeDistribution (class in matminer.featurizers.site.misc) inverse_mean() (matminer.featurizers.utils.stats.PropertyStats static method) IonFeaturesTest (class in matminer.featurizers.composition.tests.test_ion) IonProperty (class in matminer.featurizers.composition.ion) IOTest (class in matminer.utils.tests.test_io) is_int() (in module matminer.data_retrieval.retrieve_MongoDB) is_ionic() (in module matminer.featurizers.composition.ion) ItemSelector (class in matminer.utils.pipeline) IUCrBondValenceData (class in matminer.utils.data)

J

JarvisCFID (class in matminer.featurizers.structure.composite)

JsonToObject (class in matminer.featurizers.conversions)

K

kurtosis() (matminer.featurizers.utils.stats.PropertyStats static method)

L

laplacian_kernel() (in module matminer.utils.kernels) load_boltztrap_mp() (in module matminer.datasets.convenience_loaders) load_brgoch_superhard_training() (in module matminer.datasets.convenience_loaders) load_castelli_perovskites() (in module matminer.datasets.convenience_loaders) load_citrine_thermal_conductivity() (in module matminer.datasets.convenience_loaders) load_cn_motif_op_params() (in module matminer.featurizers.site.fingerprint) load_cn_target_motif_op() (in module matminer.featurizers.site.fingerprint) load_dataframe_from_json() (in module matminer.utils.io) load_dataset() (in module matminer.datasets.dataset_retrieval) load_dielectric_constant() (in module matminer.datasets.convenience_loaders) load_double_perovskites_gap() (in module matminer.datasets.convenience_loaders) load_double_perovskites_gap_lumo() (in module matminer.datasets.convenience_loaders) load_elastic_tensor() (in module matminer.datasets.convenience_loaders) load_expt_formation_enthalpy() (in module matminer.datasets.convenience_loaders) load_expt_gap() (in module matminer.datasets.convenience_loaders)

load_flla() (in module matminer.datasets.convenience_loaders) load_glass_binary() (in module matminer.datasets.convenience_loaders) load_glass_ternary_hipt() (in module matminer.datasets.convenience_loaders) load_glass_ternary_landolt() (in module matminer.datasets.convenience_loaders) load_heusler_magnetic() (in module matminer.datasets.convenience_loaders) load_jarvis_dft_2d() (in module matminer.datasets.convenience_loaders) load_jarvis_dft_3d() (in module matminer.datasets.convenience_loaders) load_jarvis_ml_dft_training() (in module matminer.datasets.convenience_loaders) load_m2ax() (in module matminer.datasets.convenience_loaders) load_mp() (in module matminer.datasets.convenience_loaders) load_phonon_dielectric_mp() (in module matminer.datasets.convenience_loaders) load_piezoelectric_tensor() (in module matminer.datasets.convenience_loaders) load_steel_strength() (in module matminer.datasets.convenience_loaders) load_wolverton_oxides() (in module matminer.datasets.convenience_loaders) LocalPropertyDifference (class in matminer.featurizers.site.chemical)

M

magpie_data (matminer.featurizers.composition.element.BandCenter attribute) MagpieData (class in matminer.utils.data) make_dataframe() (in module matminer.data_retrieval.retrieve_MDF) make_test_data() (matminer.featurizers.tests.test_base.TestBaseClass static method) MatbenchDatasetsTest (class in matminer.datasets.tests.test_datasets) matminer module matminer.data_retrieval module matminer.data_retrieval.retrieve_AFLOW module matminer.data_retrieval.retrieve_base module matminer.data_retrieval.retrieve_Citrine module matminer.data_retrieval.retrieve_MDF module matminer.data_retrieval.retrieve_MongoDB module matminer.data_retrieval.retrieve_MP module matminer.data_retrieval.retrieve_MPDS module matminer.data_retrieval.tests module matminer.data_retrieval.tests.base module matminer.data_retrieval.tests.test_retrieve_AFLOW module matminer.data_retrieval.tests.test_retrieve_Citrine module matminer.data_retrieval.tests.test_retrieve_MDF module matminer.data_retrieval.tests.test_retrieve_MongoDB module matminer.data_retrieval.tests.test_retrieve_MP module matminer.data_retrieval.tests.test_retrieve_MPDS module matminer.datasets module matminer.datasets.convenience_loaders module matminer.datasets.dataset_retrieval module matminer.datasets.tests module matminer.datasets.tests.base module matminer.datasets.tests.test_convenience_loaders module matminer.datasets.tests.test_dataset_retrieval module matminer.datasets.tests.test_datasets module matminer.datasets.tests.test_utils module matminer.datasets.utils module matminer.featurizers module matminer.featurizers.bandstructure module matminer.featurizers.base module matminer.featurizers.composition module matminer.featurizers.composition.alloy module matminer.featurizers.composition.composite module matminer.featurizers.composition.element module matminer.featurizers.composition.ion module matminer.featurizers.composition.orbital module matminer.featurizers.composition.packing module matminer.featurizers.composition.tests module matminer.featurizers.composition.tests.base module matminer.featurizers.composition.tests.test_alloy module matminer.featurizers.composition.tests.test_composite module matminer.featurizers.composition.tests.test_element module matminer.featurizers.composition.tests.test_ion module matminer.featurizers.composition.tests.test_orbital module matminer.featurizers.composition.tests.test_packing module matminer.featurizers.composition.tests.test_thermo module matminer.featurizers.composition.thermo module matminer.featurizers.conversions module matminer.featurizers.dos module matminer.featurizers.function module matminer.featurizers.site module matminer.featurizers.site.bonding module matminer.featurizers.site.chemical module matminer.featurizers.site.external module matminer.featurizers.site.fingerprint module matminer.featurizers.site.misc module matminer.featurizers.site.rdf module matminer.featurizers.site.tests module matminer.featurizers.site.tests.base module matminer.featurizers.site.tests.test_bonding module matminer.featurizers.site.tests.test_chemical module matminer.featurizers.site.tests.test_external module matminer.featurizers.site.tests.test_fingerprint module matminer.featurizers.site.tests.test_misc module matminer.featurizers.site.tests.test_rdf module matminer.featurizers.structure module matminer.featurizers.structure.bonding module matminer.featurizers.structure.composite module matminer.featurizers.structure.matrix module matminer.featurizers.structure.misc module matminer.featurizers.structure.order module matminer.featurizers.structure.rdf module matminer.featurizers.structure.sites module matminer.featurizers.structure.symmetry module matminer.featurizers.structure.tests module matminer.featurizers.structure.tests.base module matminer.featurizers.structure.tests.test_bonding module matminer.featurizers.structure.tests.test_composite module matminer.featurizers.structure.tests.test_matrix module matminer.featurizers.structure.tests.test_misc module matminer.featurizers.structure.tests.test_order module matminer.featurizers.structure.tests.test_rdf module matminer.featurizers.structure.tests.test_sites module matminer.featurizers.structure.tests.test_symmetry module matminer.featurizers.tests module matminer.featurizers.tests.test_bandstructure module matminer.featurizers.tests.test_base module matminer.featurizers.tests.test_conversions module matminer.featurizers.tests.test_dos module matminer.featurizers.tests.test_function module matminer.featurizers.utils module

matminer.featurizers.utils.grdf module matminer.featurizers.utils.oxidation module matminer.featurizers.utils.stats module matminer.featurizers.utils.tests module matminer.featurizers.utils.tests.test_grdf module matminer.featurizers.utils.tests.test_oxidation module matminer.featurizers.utils.tests.test_stats module matminer.utils module matminer.utils.caching module matminer.utils.data module matminer.utils.data_files module matminer.utils.data_files.deml_elementdata module matminer.utils.flatten_dict module matminer.utils.io module matminer.utils.kernels module matminer.utils.pipeline module matminer.utils.tests module matminer.utils.tests.test_caching module matminer.utils.tests.test_data module matminer.utils.tests.test_flatten_dict module matminer.utils.tests.test_io module matminer.utils.utils module MatminerDatasetsTest (class in matminer.datasets.tests.test_datasets) MatrixFeaturizer (class in matminer.featurizers.tests.test_base) MatrixStructureFeaturesTest (class in matminer.featurizers.structure.tests.test_matrix) MatscholarElementData (class in matminer.utils.data) maximum() (matminer.featurizers.utils.stats.PropertyStats static method) MaximumPackingEfficiency (class in matminer.featurizers.structure.order) maxnpages (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval attribute) MDFDataRetrieval (class in matminer.data_retrieval.retrieve_MDF) MDFDataRetrievalTest (class in matminer.data_retrieval.tests.test_retrieve_MDF) mean() (matminer.featurizers.utils.stats.PropertyStats static method) MEGNetElementData (class in matminer.utils.data) Meredig (class in matminer.featurizers.composition.composite) Miedema (class in matminer.featurizers.composition.alloy) minimum() (matminer.featurizers.utils.stats.PropertyStats static method) MinimumRelativeDistances (class in matminer.featurizers.structure.bonding) MiscSiteTests (class in matminer.featurizers.site.tests.test_misc) MiscStructureFeaturesTest (class in matminer.featurizers.structure.tests.test_misc) MixingEnthalpy (class in matminer.utils.data) mode() (matminer.featurizers.utils.stats.PropertyStats static method) module matminer matminer.data_retrieval matminer.data_retrieval.retrieve_AFLOW matminer.data_retrieval.retrieve_base matminer.data_retrieval.retrieve_Citrine matminer.data_retrieval.retrieve_MDF matminer.data_retrieval.retrieve_MongoDB matminer.data_retrieval.retrieve_MP matminer.data_retrieval.retrieve_MPDS matminer.data_retrieval.tests matminer.data_retrieval.tests.base matminer.data_retrieval.tests.test_retrieve_AFLOW matminer.data_retrieval.tests.test_retrieve_Citrine matminer.data_retrieval.tests.test_retrieve_MDF matminer.data_retrieval.tests.test_retrieve_MongoDB matminer.data_retrieval.tests.test_retrieve_MP matminer.data_retrieval.tests.test_retrieve_MPDS matminer.datasets matminer.datasets.convenience_loaders matminer.datasets.dataset_retrieval matminer.datasets.tests matminer.datasets.tests.base matminer.datasets.tests.test_convenience_loaders matminer.datasets.tests.test_dataset_retrieval matminer.datasets.tests.test_datasets matminer.datasets.tests.test_utils matminer.datasets.utils matminer.featurizers matminer.featurizers.bandstructure matminer.featurizers.base matminer.featurizers.composition matminer.featurizers.composition.alloy matminer.featurizers.composition.composite matminer.featurizers.composition.element matminer.featurizers.composition.ion matminer.featurizers.composition.orbital matminer.featurizers.composition.packing matminer.featurizers.composition.tests matminer.featurizers.composition.tests.base matminer.featurizers.composition.tests.test_alloy matminer.featurizers.composition.tests.test_composite matminer.featurizers.composition.tests.test_element matminer.featurizers.composition.tests.test_ion matminer.featurizers.composition.tests.test_orbital matminer.featurizers.composition.tests.test_packing matminer.featurizers.composition.tests.test_thermo matminer.featurizers.composition.thermo matminer.featurizers.conversions matminer.featurizers.dos matminer.featurizers.function matminer.featurizers.site matminer.featurizers.site.bonding matminer.featurizers.site.chemical matminer.featurizers.site.external matminer.featurizers.site.fingerprint matminer.featurizers.site.misc matminer.featurizers.site.rdf matminer.featurizers.site.tests matminer.featurizers.site.tests.base matminer.featurizers.site.tests.test_bonding matminer.featurizers.site.tests.test_chemical matminer.featurizers.site.tests.test_external matminer.featurizers.site.tests.test_fingerprint matminer.featurizers.site.tests.test_misc matminer.featurizers.site.tests.test_rdf matminer.featurizers.structure matminer.featurizers.structure.bonding matminer.featurizers.structure.composite matminer.featurizers.structure.matrix matminer.featurizers.structure.misc matminer.featurizers.structure.order matminer.featurizers.structure.rdf matminer.featurizers.structure.sites matminer.featurizers.structure.symmetry matminer.featurizers.structure.tests matminer.featurizers.structure.tests.base matminer.featurizers.structure.tests.test_bonding matminer.featurizers.structure.tests.test_composite matminer.featurizers.structure.tests.test_matrix matminer.featurizers.structure.tests.test_misc matminer.featurizers.structure.tests.test_order matminer.featurizers.structure.tests.test_rdf matminer.featurizers.structure.tests.test_sites matminer.featurizers.structure.tests.test_symmetry matminer.featurizers.tests matminer.featurizers.tests.test_bandstructure matminer.featurizers.tests.test_base matminer.featurizers.tests.test_conversions matminer.featurizers.tests.test_dos matminer.featurizers.tests.test_function matminer.featurizers.utils matminer.featurizers.utils.grdf matminer.featurizers.utils.oxidation matminer.featurizers.utils.stats matminer.featurizers.utils.tests matminer.featurizers.utils.tests.test_grdf matminer.featurizers.utils.tests.test_oxidation matminer.featurizers.utils.tests.test_stats matminer.utils matminer.utils.caching matminer.utils.data matminer.utils.data_files matminer.utils.data_files.deml_elementdata matminer.utils.flatten_dict matminer.utils.io matminer.utils.kernels matminer.utils.pipeline matminer.utils.tests matminer.utils.tests.test_caching matminer.utils.tests.test_data matminer.utils.tests.test_flatten_dict matminer.utils.tests.test_io matminer.utils.utils MongoDataRetrieval (class in matminer.data_retrieval.retrieve_MongoDB) MongoDataRetrievalTest (class in matminer.data_retrieval.tests.test_retrieve_MongoDB) MPDataRetrieval (class in matminer.data_retrieval.retrieve_MP) MPDataRetrievalTest (class in matminer.data_retrieval.tests.test_retrieve_MP) MPDSDataRetrieval (class in matminer.data_retrieval.retrieve_MPDS) MPDSDataRetrievalTest (class in matminer.data_retrieval.tests.test_retrieve_MPDS) MultiArgs2 (class in matminer.featurizers.tests.test_base) MultipleFeatureFeaturizer (class in matminer.featurizers.tests.test_base) MultipleFeaturizer (class in matminer.featurizers.base) MultiTypeFeaturizer (class in matminer.featurizers.tests.test_base)

N

n_jobs (matminer.featurizers.base.BaseFeaturizer property)

name() (matminer.featurizers.utils.grdf.AbstractPairwise method)

O

OPSiteFingerprint (class in matminer.featurizers.site.fingerprint) OrbitalFeaturesTest (class in matminer.featurizers.composition.tests.test_orbital) OrbitalFieldMatrix (class in matminer.featurizers.structure.matrix) OrderStructureFeaturesTest (class in matminer.featurizers.structure.tests.test_order)

OxidationStateDependentData (class in matminer.utils.data) OxidationStates (class in matminer.featurizers.composition.ion) OxidationStatesMixin (class in matminer.utils.data) OxidationTest (class in matminer.featurizers.utils.tests.test_oxidation)

P

PackingFeaturesTest (class in matminer.featurizers.composition.tests.test_packing) pagesize (matminer.data_retrieval.retrieve_MPDS.MPDSDataRetrieval attribute) parse_scalars() (in module matminer.data_retrieval.retrieve_Citrine) PartialRadialDistributionFunction (class in matminer.featurizers.structure.rdf) PartialsSiteStatsFingerprint (class in matminer.featurizers.structure.sites) PartialStructureSitesFeaturesTest (class in matminer.featurizers.structure.tests.test_sites) precheck() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.composition.alloy.Miedema method) (matminer.featurizers.composition.alloy.WenAlloys method) (matminer.featurizers.composition.alloy.YangSolidSolution method) (matminer.featurizers.structure.bonding.GlobalInstabilityIndex method) (matminer.featurizers.structure.order.DensityFeatures method) (matminer.featurizers.structure.rdf.ElectronicRadialDistributionFunction method) (matminer.featurizers.structure.rdf.PartialRadialDistributionFunction method) (matminer.featurizers.structure.rdf.RadialDistributionFunction method) (matminer.featurizers.tests.test_base.SingleFeaturizerMultiArgsWithPrecheck method) (matminer.featurizers.tests.test_base.SingleFeaturizerWithPrecheck method)

precheck_dataframe() (matminer.featurizers.base.BaseFeaturizer method) PropertyStats (class in matminer.featurizers.utils.stats) PymatgenData (class in matminer.utils.data) PymatgenFunctionApplicator (class in matminer.featurizers.conversions) PymatgenTestExtended (class in matminer.utils.tests.test_io)

Q

quantile() (matminer.featurizers.utils.stats.PropertyStats static method)

R

RadialDistributionFunction (class in matminer.featurizers.structure.rdf) range() (matminer.featurizers.utils.stats.PropertyStats static method)

RDFTests (class in matminer.featurizers.site.tests.test_rdf) remove_ints() (in module matminer.data_retrieval.retrieve_MongoDB) RetrievalQuery (class in matminer.data_retrieval.retrieve_AFLOW)

S

set_chunksize() (matminer.featurizers.base.BaseFeaturizer method) set_fit_request() (matminer.utils.pipeline.DropExcluded method) (matminer.utils.pipeline.ItemSelector method) set_n_jobs() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.base.MultipleFeaturizer method) set_transform_request() (matminer.utils.pipeline.DropExcluded method) (matminer.utils.pipeline.ItemSelector method) setUp() (matminer.data_retrieval.tests.test_retrieve_AFLOW.AFLOWDataRetrievalTest method) (matminer.data_retrieval.tests.test_retrieve_Citrine.CitrineDataRetrievalTest method) (matminer.data_retrieval.tests.test_retrieve_MP.MPDataRetrievalTest method) (matminer.data_retrieval.tests.test_retrieve_MPDS.MPDSDataRetrievalTest method) (matminer.datasets.tests.base.DatasetTest method) (matminer.featurizers.composition.tests.base.CompositionFeaturesTest method) (matminer.featurizers.site.tests.base.SiteFeaturizerTest method) (matminer.featurizers.structure.tests.base.StructureFeaturesTest method) (matminer.featurizers.tests.test_bandstructure.BandstructureFeaturesTest method) (matminer.featurizers.tests.test_base.TestBaseClass method) (matminer.featurizers.tests.test_dos.DOSFeaturesTest method) (matminer.featurizers.tests.test_function.TestFunctionFeaturizer method) (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) (matminer.utils.tests.test_data.TestDemlData method) (matminer.utils.tests.test_data.TestIUCrBondValenceData method) (matminer.utils.tests.test_data.TestMagpieData method) (matminer.utils.tests.test_data.TestMatScholarData method) (matminer.utils.tests.test_data.TestMEGNetData method) (matminer.utils.tests.test_data.TestMixingEnthalpy method) (matminer.utils.tests.test_data.TestPymatgenData method) (matminer.utils.tests.test_io.IOTest method)

setUpClass() (matminer.data_retrieval.tests.test_retrieve_MDF.MDFDataRetrievalTest class method) Sine (class in matminer.featurizers.utils.grdf) SineCoulombMatrix (class in matminer.featurizers.structure.matrix) SingleFeaturizer (class in matminer.featurizers.tests.test_base) SingleFeaturizerMultiArgs (class in matminer.featurizers.tests.test_base) SingleFeaturizerMultiArgsWithPrecheck (class in matminer.featurizers.tests.test_base) SingleFeaturizerWithPrecheck (class in matminer.featurizers.tests.test_base) SiteDOS (class in matminer.featurizers.dos) SiteElementalProperty (class in matminer.featurizers.site.chemical) SiteFeaturizerTest (class in matminer.featurizers.site.tests.base) SiteStatsFingerprint (class in matminer.featurizers.structure.sites) skewness() (matminer.featurizers.utils.stats.PropertyStats static method) SOAP (class in matminer.featurizers.site.external) sorted() (matminer.featurizers.utils.stats.PropertyStats static method) StackedFeaturizer (class in matminer.featurizers.base) std_dev() (matminer.featurizers.utils.stats.PropertyStats static method) Stoichiometry (class in matminer.featurizers.composition.element) store_dataframe_as_json() (in module matminer.utils.io) StrToComposition (class in matminer.featurizers.conversions) StructuralComplexity (class in matminer.featurizers.structure.order) StructuralHeterogeneity (class in matminer.featurizers.structure.bonding) StructureComposition (class in matminer.featurizers.structure.misc) StructureFeaturesTest (class in matminer.featurizers.structure.tests.base) StructureRDFTest (class in matminer.featurizers.structure.tests.test_rdf) StructureSitesFeaturesTest (class in matminer.featurizers.structure.tests.test_sites) StructureSymmetryFeaturesTest (class in matminer.featurizers.structure.tests.test_symmetry) StructureToComposition (class in matminer.featurizers.conversions) StructureToIStructure (class in matminer.featurizers.conversions) StructureToOxidStructure (class in matminer.featurizers.conversions)

T

tearDown() (matminer.featurizers.site.tests.base.SiteFeaturizerTest method) (matminer.utils.tests.test_io.IOTest method) test_afs() (matminer.featurizers.site.tests.test_rdf.RDFTests method) test_ape() (matminer.featurizers.composition.tests.test_packing.PackingFeaturesTest method) test_ase_conversion() (matminer.featurizers.tests.test_conversions.TestConversions method) test_atomic_orbitals() (matminer.featurizers.composition.tests.test_orbital.OrbitalFeaturesTest method) test_AverageBondAngle() (matminer.featurizers.site.tests.test_bonding.BondingTest method) test_AverageBondLength() (matminer.featurizers.site.tests.test_bonding.BondingTest method) test_avg_dev() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_band_center() (matminer.featurizers.composition.tests.test_element.ElementFeaturesTest method) test_BandFeaturizer() (matminer.featurizers.tests.test_bandstructure.BandstructureFeaturesTest method) test_bessel() (matminer.featurizers.utils.tests.test_grdf.GRDFTests method) test_bob() (matminer.featurizers.structure.tests.test_bonding.BondingStructureTest method) test_boltztrap_mp() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_bondfractions() (matminer.featurizers.structure.tests.test_bonding.BondingStructureTest method) test_bop() (matminer.featurizers.site.tests.test_bonding.BondingTest method) test_BranchPointEnergy() (matminer.featurizers.tests.test_bandstructure.BandstructureFeaturesTest method) test_brgoch_superhard_training() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_cache() (matminer.utils.tests.test_caching.TestCaching method) test_caching() (matminer.featurizers.tests.test_base.TestBaseClass method) test_castelli_perovskites() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_cation_properties() (matminer.featurizers.composition.tests.test_ion.IonFeaturesTest method) test_chemenv_site_fingerprint() (matminer.featurizers.site.tests.test_fingerprint.FingerprintTests method) test_chemicalSRO() (matminer.featurizers.site.tests.test_chemical.ChemicalSiteTests method) test_citrine_thermal_conductivity() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_cleaned_projection() (matminer.data_retrieval.tests.test_retrieve_MongoDB.MongoDataRetrievalTest method) test_cns() (matminer.featurizers.site.tests.test_misc.MiscSiteTests method) test_cohesive_energy() (matminer.featurizers.composition.tests.test_thermo.ThermoFeaturesTest method) test_cohesive_energy_mp() (matminer.featurizers.composition.tests.test_thermo.ThermoFeaturesTest method) test_composition_features() (matminer.featurizers.structure.tests.test_misc.MiscStructureFeaturesTest method) test_composition_to_oxidcomposition() (matminer.featurizers.tests.test_conversions.TestConversions method) test_composition_to_structurefromMP() (matminer.featurizers.tests.test_conversions.TestConversions method) test_conversion_multiindex() (matminer.featurizers.tests.test_conversions.TestConversions method) test_conversion_multiindex_dynamic() (matminer.featurizers.tests.test_conversions.TestConversions method) test_conversion_overwrite() (matminer.featurizers.tests.test_conversions.TestConversions method) test_cosine() (matminer.featurizers.utils.tests.test_grdf.GRDFTests method) test_coulomb_matrix() (matminer.featurizers.structure.tests.test_matrix.MatrixStructureFeaturesTest method) test_crystal_nn_fingerprint() (matminer.featurizers.site.tests.test_fingerprint.FingerprintTests method) test_dataframe() (matminer.featurizers.site.tests.test_fingerprint.FingerprintTests method) (matminer.featurizers.tests.test_base.TestBaseClass method) test_density_features() (matminer.featurizers.structure.tests.test_order.OrderStructureFeaturesTest method) test_dict_to_object() (matminer.featurizers.tests.test_conversions.TestConversions method) test_dielectric_constant() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_dimensionality() (matminer.featurizers.structure.tests.test_symmetry.StructureSymmetryFeaturesTest method) test_DopingFermi() (matminer.featurizers.tests.test_dos.DOSFeaturesTest method) test_DosAsymmetry() (matminer.featurizers.tests.test_dos.DOSFeaturesTest method) test_DOSFeaturizer() (matminer.featurizers.tests.test_dos.DOSFeaturesTest method) test_double_perovskites_gap() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_double_perovskites_gap_lumo() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_elastic_tensor_2015() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_elec_affin() (matminer.featurizers.composition.tests.test_ion.IonFeaturesTest method) test_elem() (matminer.featurizers.composition.tests.test_composite.CompositeFeaturesTest method) test_elem_deml() (matminer.featurizers.composition.tests.test_composite.CompositeFeaturesTest method) test_elem_matminer() (matminer.featurizers.composition.tests.test_composite.CompositeFeaturesTest method) test_elem_matscholar_el() (matminer.featurizers.composition.tests.test_composite.CompositeFeaturesTest method) test_elem_megnet_el() (matminer.featurizers.composition.tests.test_composite.CompositeFeaturesTest method) test_en_diff() (matminer.featurizers.composition.tests.test_ion.IonFeaturesTest method) test_ewald() (matminer.featurizers.structure.tests.test_misc.MiscStructureFeaturesTest method) test_ewald_site() (matminer.featurizers.site.tests.test_chemical.ChemicalSiteTests method) test_expt_formation_enthalpy() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_expt_formation_enthalpy_kingsbury() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_expt_gap() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_expt_gap_kingsbury() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_featurize() (matminer.featurizers.tests.test_function.TestFunctionFeaturizer method) test_featurize_labels() (matminer.featurizers.tests.test_function.TestFunctionFeaturizer method) test_featurize_many() (matminer.featurizers.tests.test_base.TestBaseClass method) test_fere_corr() (matminer.featurizers.composition.tests.test_composite.CompositeFeaturesTest method) test_fetch_external_dataset() (matminer.datasets.tests.test_utils.UtilsTest method) test_fittable() (matminer.featurizers.tests.test_base.TestBaseClass method) test_flatten_nested_dict() (matminer.utils.tests.test_flatten_dict.FlattenDictTest method) test_flla() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_fraction() (matminer.featurizers.composition.tests.test_element.ElementFeaturesTest method) test_gaussian() (matminer.featurizers.utils.tests.test_grdf.GRDFTests method) test_gaussiansymmfunc() (matminer.featurizers.site.tests.test_rdf.RDFTests method) test_geom_std_dev() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_get_all_dataset_info() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_get_data() (matminer.data_retrieval.tests.test_retrieve_AFLOW.AFLOWDataRetrievalTest method) (matminer.data_retrieval.tests.test_retrieve_Citrine.CitrineDataRetrievalTest method) (matminer.data_retrieval.tests.test_retrieve_MP.MPDataRetrievalTest method) (matminer.utils.tests.test_data.TestIUCrBondValenceData method) (matminer.utils.tests.test_data.TestMixingEnthalpy method) test_get_data_home() (matminer.datasets.tests.test_utils.UtilsTest method) test_get_dataframe() (matminer.data_retrieval.tests.test_retrieve_MDF.MDFDataRetrievalTest method) (matminer.data_retrieval.tests.test_retrieve_MongoDB.MongoDataRetrievalTest method) test_get_dataframe_by_query() (matminer.data_retrieval.tests.test_retrieve_MDF.MDFDataRetrievalTest method) test_get_dataset_attribute() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_get_dataset_citations() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_get_dataset_column_descriptions() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_get_dataset_columns() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_get_dataset_description() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_get_dataset_num_entries() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_get_dataset_reference() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_get_file_sha256_hash() (matminer.datasets.tests.test_utils.UtilsTest method) test_get_oxidation() (matminer.utils.tests.test_data.TestDemlData method) (matminer.utils.tests.test_data.TestMagpieData method) (matminer.utils.tests.test_data.TestPymatgenData method) test_get_property() (matminer.utils.tests.test_data.TestDemlData method) (matminer.utils.tests.test_data.TestMagpieData method) (matminer.utils.tests.test_data.TestMatScholarData method) (matminer.utils.tests.test_data.TestMEGNetData method) (matminer.utils.tests.test_data.TestPymatgenData method) test_get_rdf_bin_labels() (matminer.featurizers.structure.tests.test_rdf.StructureRDFTest method) test_glass_binary() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_glass_binary_v2() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_glass_ternary_hipt() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_glass_ternary_landolt() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_global_symmetry() (matminer.featurizers.structure.tests.test_symmetry.StructureSymmetryFeaturesTest method) test_GlobalInstabilityIndex() (matminer.featurizers.structure.tests.test_bonding.BondingStructureTest method) test_grdf() (matminer.featurizers.site.tests.test_rdf.RDFTests method) test_has_oxidation_states() (matminer.featurizers.utils.tests.test_oxidation.OxidationTest method) test_helper_functions() (matminer.featurizers.tests.test_function.TestFunctionFeaturizer method) test_heusler_magnetic() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_histogram() (matminer.featurizers.utils.tests.test_grdf.GRDFTests method) test_holder_mean() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_Hybridization() (matminer.featurizers.tests.test_dos.DOSFeaturesTest method)

test_ignore_errors() (matminer.featurizers.tests.test_base.TestBaseClass method) test_indices() (matminer.featurizers.tests.test_base.TestBaseClass method) test_inplace() (matminer.featurizers.tests.test_base.TestBaseClass method) test_interstice_distribution_of_crystal() (matminer.featurizers.site.tests.test_misc.MiscSiteTests method) test_interstice_distribution_of_glass() (matminer.featurizers.site.tests.test_misc.MiscSiteTests method) test_ionic() (matminer.featurizers.composition.tests.test_ion.IonFeaturesTest method) test_is_ionic() (matminer.featurizers.composition.tests.test_ion.IonFeaturesTest method) test_jarvis_dft_2d() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_jarvis_dft_3d() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_jarvis_ml_dft_training() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_jarvisCFID() (matminer.featurizers.structure.tests.test_composite.CompositeStructureFeaturesTest method) test_json_to_object() (matminer.featurizers.tests.test_conversions.TestConversions method) test_kurtosis() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_load_class() (matminer.featurizers.utils.tests.test_grdf.GRDFTests method) test_load_dataframe_from_json() (matminer.utils.tests.test_io.IOTest method) test_load_dataset() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_load_dataset_dict() (matminer.datasets.tests.test_utils.UtilsTest method) test_local_prop_diff() (matminer.featurizers.site.tests.test_chemical.ChemicalSiteTests method) test_m2ax() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_make_dataframe() (matminer.data_retrieval.tests.test_retrieve_MDF.MDFDataRetrievalTest method) test_matbench_v0_1() (matminer.datasets.tests.test_datasets.MatbenchDatasetsTest method) test_matrix() (matminer.featurizers.tests.test_base.TestBaseClass method) test_maximum() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_mean() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_meredig() (matminer.featurizers.composition.tests.test_composite.CompositeFeaturesTest method) test_miedema_all() (matminer.featurizers.composition.tests.test_alloy.AlloyFeaturizersTest method) test_miedema_ss() (matminer.featurizers.composition.tests.test_alloy.AlloyFeaturizersTest method) test_min_relative_distances() (matminer.featurizers.structure.tests.test_bonding.BondingStructureTest method) test_minimum() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_mode() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_mp_all_20181018() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_mp_nostruct_20181018() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_multi_featurizer() (matminer.featurizers.tests.test_function.TestFunctionFeaturizer method) test_multifeature_no_zero_index() (matminer.featurizers.tests.test_base.TestBaseClass method) test_multifeatures_multiargs() (matminer.featurizers.tests.test_base.TestBaseClass method) test_multiindex_in_multifeaturizer() (matminer.featurizers.tests.test_base.TestBaseClass method) test_multiindex_inplace() (matminer.featurizers.tests.test_base.TestBaseClass method) test_multiindex_return() (matminer.featurizers.tests.test_base.TestBaseClass method) test_multiple() (matminer.featurizers.tests.test_base.TestBaseClass method) test_multiple_items_in_list() (matminer.data_retrieval.tests.test_retrieve_Citrine.CitrineDataRetrievalTest method) test_multiprocessing_df() (matminer.featurizers.tests.test_base.TestBaseClass method) test_multitype_multifeat() (matminer.featurizers.tests.test_base.TestBaseClass method) test_off_center_cscl() (matminer.featurizers.site.tests.test_fingerprint.FingerprintTests method) test_op_site_fingerprint() (matminer.featurizers.site.tests.test_fingerprint.FingerprintTests method) test_orbital_field_matrix() (matminer.featurizers.structure.tests.test_matrix.MatrixStructureFeaturesTest method) test_ordering_param() (matminer.featurizers.structure.tests.test_order.OrderStructureFeaturesTest method) test_oxidation_states() (matminer.featurizers.composition.tests.test_ion.IonFeaturesTest method) test_packing_efficiency() (matminer.featurizers.structure.tests.test_order.OrderStructureFeaturesTest method) test_partialsitestatsfingerprint() (matminer.featurizers.structure.tests.test_sites.PartialStructureSitesFeaturesTest method) test_phonon_dielectric_mp() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_piezoelectric_tensor() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_prdf() (matminer.featurizers.structure.tests.test_rdf.StructureRDFTest method) test_precheck() (matminer.featurizers.tests.test_base.TestBaseClass method) test_print_available_datasets() (matminer.datasets.tests.test_dataset_retrieval.DataRetrievalTest method) test_pymatgen_general_converter() (matminer.featurizers.tests.test_conversions.TestConversions method) test_quantile() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_range() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_rdf_and_peaks() (matminer.featurizers.structure.tests.test_rdf.StructureRDFTest method) test_read_dataframe_from_file() (matminer.datasets.tests.test_utils.UtilsTest method) test_redf() (matminer.featurizers.structure.tests.test_rdf.StructureRDFTest method) test_remove_ints() (matminer.data_retrieval.tests.test_retrieve_MongoDB.MongoDataRetrievalTest method) test_ricci_boltztrap_mp_tabular() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_simple_cubic() (matminer.featurizers.site.tests.test_fingerprint.FingerprintTests method) test_sin() (matminer.featurizers.utils.tests.test_grdf.GRDFTests method) test_sine_coulomb_matrix() (matminer.featurizers.structure.tests.test_matrix.MatrixStructureFeaturesTest method) test_site_elem_prop() (matminer.featurizers.site.tests.test_chemical.ChemicalSiteTests method) test_SiteDOS() (matminer.featurizers.tests.test_dos.DOSFeaturesTest method) test_sitestatsfingerprint() (matminer.featurizers.structure.tests.test_sites.StructureSitesFeaturesTest method) test_skewness() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_SOAP() (matminer.featurizers.site.tests.test_external.ExternalSiteTests method) test_stacked_featurizer() (matminer.featurizers.tests.test_base.TestBaseClass method) test_std_dev() (matminer.featurizers.utils.tests.test_stats.TestPropertyStats method) test_steel_strength() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_stoich() (matminer.featurizers.composition.tests.test_element.ElementFeaturesTest method) test_store_dataframe_as_json() (matminer.utils.tests.test_io.IOTest method) test_str_to_composition() (matminer.featurizers.tests.test_conversions.TestConversions method) test_structural_complexity() (matminer.featurizers.structure.tests.test_order.OrderStructureFeaturesTest method) test_structure_to_composition() (matminer.featurizers.tests.test_conversions.TestConversions method) test_structure_to_oxidstructure() (matminer.featurizers.tests.test_conversions.TestConversions method) test_superconductivity2018() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_tholander_nitrides_e_form() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_tm_fraction() (matminer.featurizers.composition.tests.test_element.ElementFeaturesTest method) test_to_istructure() (matminer.featurizers.tests.test_conversions.TestConversions method) test_ucsb_thermoelectrics() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_valence() (matminer.featurizers.composition.tests.test_orbital.OrbitalFeaturesTest method) test_valid_answer() (matminer.data_retrieval.tests.test_retrieve_MPDS.MPDSDataRetrievalTest method) test_validate_dataset() (matminer.datasets.tests.test_utils.UtilsTest method) test_voronoifingerprint() (matminer.featurizers.site.tests.test_fingerprint.FingerprintTests method) test_ward_prb_2017_efftcn() (matminer.featurizers.structure.tests.test_sites.PartialStructureSitesFeaturesTest method) (matminer.featurizers.structure.tests.test_sites.StructureSitesFeaturesTest method) test_ward_prb_2017_lpd() (matminer.featurizers.structure.tests.test_sites.PartialStructureSitesFeaturesTest method) (matminer.featurizers.structure.tests.test_sites.StructureSitesFeaturesTest method) test_ward_prb_2017_strhet() (matminer.featurizers.structure.tests.test_bonding.BondingStructureTest method) test_WenAlloys() (matminer.featurizers.composition.tests.test_alloy.AlloyFeaturizersTest method) test_wolverton_oxides() (matminer.datasets.tests.test_datasets.MatminerDatasetsTest method) test_xrd_powderPattern() (matminer.featurizers.structure.tests.test_misc.MiscStructureFeaturesTest method) test_yang() (matminer.featurizers.composition.tests.test_alloy.AlloyFeaturizersTest method) TestBaseClass (class in matminer.featurizers.tests.test_base) TestCaching (class in matminer.utils.tests.test_caching) TestConversions (class in matminer.featurizers.tests.test_conversions) TestDemlData (class in matminer.utils.tests.test_data) TestFunctionFeaturizer (class in matminer.featurizers.tests.test_function) TestIUCrBondValenceData (class in matminer.utils.tests.test_data) TestMagpieData (class in matminer.utils.tests.test_data) TestMatScholarData (class in matminer.utils.tests.test_data) TestMEGNetData (class in matminer.utils.tests.test_data) TestMixingEnthalpy (class in matminer.utils.tests.test_data) TestPropertyStats (class in matminer.featurizers.utils.tests.test_stats) TestPymatgenData (class in matminer.utils.tests.test_data) ThermoFeaturesTest (class in matminer.featurizers.composition.tests.test_thermo) TMetalFraction (class in matminer.featurizers.composition.element) transform() (matminer.featurizers.base.BaseFeaturizer method) (matminer.utils.pipeline.DropExcluded method) (matminer.utils.pipeline.ItemSelector method) try_get_prop_by_material_id() (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method)

U

universal_dataset_check() (matminer.datasets.tests.test_datasets.DataSetsTest method)

UtilsTest (class in matminer.datasets.tests.test_utils)

V

ValenceOrbital (class in matminer.featurizers.composition.orbital) volume() (matminer.featurizers.utils.grdf.AbstractPairwise method) (matminer.featurizers.utils.grdf.Cosine method) (matminer.featurizers.utils.grdf.Gaussian method) (matminer.featurizers.utils.grdf.Histogram method) (matminer.featurizers.utils.grdf.Sine method)

VoronoiFingerprint (class in matminer.featurizers.site.fingerprint)

W

WenAlloys (class in matminer.featurizers.composition.alloy)

X

XRDPowderPattern (class in matminer.featurizers.structure.misc)

Y

YangSolidSolution (class in matminer.featurizers.composition.alloy)