matminer package

Subpackages

• matminer.data_retrieval package
  • Subpackages
    • matminer.data_retrieval.tests package
      • Submodules
      • 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_MP module
      • matminer.data_retrieval.tests.test_retrieve_MPDS module
      • matminer.data_retrieval.tests.test_retrieve_MongoDB module
      • Module contents
  • Submodules
  • matminer.data_retrieval.retrieve_AFLOW module
    • AFLOWDataRetrieval
      • AFLOWDataRetrieval.api_link()
      • AFLOWDataRetrieval.citations()
      • AFLOWDataRetrieval.get_dataframe()
      • AFLOWDataRetrieval.get_relaxed_structure()
    • RetrievalQuery
      • RetrievalQuery.from_pymongo()
  • matminer.data_retrieval.retrieve_Citrine module
    • CitrineDataRetrieval
      • CitrineDataRetrieval.__init__()
      • CitrineDataRetrieval.api_link()
      • CitrineDataRetrieval.citations()
      • CitrineDataRetrieval.get_data()
      • CitrineDataRetrieval.get_dataframe()
    • get_value()
    • parse_scalars()
  • matminer.data_retrieval.retrieve_MDF module
    • MDFDataRetrieval
      • MDFDataRetrieval.__init__()
      • MDFDataRetrieval.api_link()
      • MDFDataRetrieval.citations()
      • MDFDataRetrieval.get_data()
      • MDFDataRetrieval.get_dataframe()
    • make_dataframe()
  • matminer.data_retrieval.retrieve_MP module
    • MPDataRetrieval
      • MPDataRetrieval.__init__()
      • MPDataRetrieval.api_link()
      • MPDataRetrieval.citations()
      • MPDataRetrieval.get_data()
      • MPDataRetrieval.get_dataframe()
      • MPDataRetrieval.try_get_prop_by_material_id()
  • matminer.data_retrieval.retrieve_MPDS module
    • APIError
      • APIError.__init__()
    • MPDSDataRetrieval
      • MPDSDataRetrieval.__init__()
      • MPDSDataRetrieval.api_link()
      • MPDSDataRetrieval.chillouttime
      • MPDSDataRetrieval.citations()
      • MPDSDataRetrieval.compile_crystal()
      • MPDSDataRetrieval.default_properties
      • MPDSDataRetrieval.endpoint
      • MPDSDataRetrieval.get_data()
      • MPDSDataRetrieval.get_dataframe()
      • MPDSDataRetrieval.maxnpages
      • MPDSDataRetrieval.pagesize
  • matminer.data_retrieval.retrieve_MongoDB module
    • MongoDataRetrieval
      • MongoDataRetrieval.__init__()
      • MongoDataRetrieval.api_link()
      • MongoDataRetrieval.get_dataframe()
    • clean_projection()
    • is_int()
    • remove_ints()
  • matminer.data_retrieval.retrieve_base module
    • BaseDataRetrieval
      • BaseDataRetrieval.api_link()
      • BaseDataRetrieval.citations()
      • BaseDataRetrieval.get_dataframe()
  • Module contents
• matminer.datasets package
  • Subpackages
    • matminer.datasets.tests package
      • Submodules
      • 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
      • Module contents
  • Submodules
  • matminer.datasets.convenience_loaders module
    • load_boltztrap_mp()
    • load_brgoch_superhard_training()
    • load_castelli_perovskites()
    • load_citrine_thermal_conductivity()
    • load_dielectric_constant()
    • load_double_perovskites_gap()
    • load_double_perovskites_gap_lumo()
    • load_elastic_tensor()
    • load_expt_formation_enthalpy()
    • load_expt_gap()
    • load_flla()
    • load_glass_binary()
    • load_glass_ternary_hipt()
    • load_glass_ternary_landolt()
    • load_heusler_magnetic()
    • load_jarvis_dft_2d()
    • load_jarvis_dft_3d()
    • load_jarvis_ml_dft_training()
    • load_m2ax()
    • load_mp()
    • load_phonon_dielectric_mp()
    • load_piezoelectric_tensor()
    • load_steel_strength()
    • load_wolverton_oxides()
  • matminer.datasets.dataset_retrieval module
    • get_all_dataset_info()
    • get_available_datasets()
    • get_dataset_attribute()
    • get_dataset_citations()
    • get_dataset_column_description()
    • get_dataset_columns()
    • get_dataset_description()
    • get_dataset_num_entries()
    • get_dataset_reference()
    • load_dataset()
  • matminer.datasets.utils module
  • Module contents
• matminer.featurizers package
  • Subpackages
    • matminer.featurizers.composition package
      • Subpackages
      • Submodules
      • 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.thermo module
      • Module contents
    • matminer.featurizers.site package
      • Subpackages
      • Submodules
      • 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
      • Module contents
    • matminer.featurizers.structure package
      • Subpackages
      • Submodules
      • 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
      • Module contents
    • matminer.featurizers.tests package
      • Submodules
      • 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
      • Module contents
    • matminer.featurizers.utils package
      • Subpackages
      • Submodules
      • matminer.featurizers.utils.grdf module
      • matminer.featurizers.utils.oxidation module
      • matminer.featurizers.utils.stats module
      • Module contents
  • Submodules
  • matminer.featurizers.bandstructure module
    • BandFeaturizer
      • BandFeaturizer.__init__()
      • BandFeaturizer.citations()
      • BandFeaturizer.feature_labels()
      • BandFeaturizer.featurize()
      • BandFeaturizer.get_bindex_bspin()
      • BandFeaturizer.implementors()
    • BranchPointEnergy
      • BranchPointEnergy.__init__()
      • BranchPointEnergy.citations()
      • BranchPointEnergy.feature_labels()
      • BranchPointEnergy.featurize()
      • BranchPointEnergy.implementors()
  • matminer.featurizers.base module
    • BaseFeaturizer
      • BaseFeaturizer.chunksize
      • BaseFeaturizer.citations()
      • BaseFeaturizer.feature_labels()
      • BaseFeaturizer.featurize()
      • BaseFeaturizer.featurize_dataframe()
      • BaseFeaturizer.featurize_many()
      • BaseFeaturizer.featurize_wrapper()
      • BaseFeaturizer.fit()
      • BaseFeaturizer.fit_featurize_dataframe()
      • BaseFeaturizer.implementors()
      • BaseFeaturizer.n_jobs
      • BaseFeaturizer.precheck()
      • BaseFeaturizer.precheck_dataframe()
      • BaseFeaturizer.set_chunksize()
      • BaseFeaturizer.set_n_jobs()
      • BaseFeaturizer.transform()
    • MultipleFeaturizer
      • MultipleFeaturizer.__init__()
      • MultipleFeaturizer.citations()
      • MultipleFeaturizer.feature_labels()
      • MultipleFeaturizer.featurize()
      • MultipleFeaturizer.featurize_many()
      • MultipleFeaturizer.featurize_wrapper()
      • MultipleFeaturizer.fit()
      • MultipleFeaturizer.implementors()
      • MultipleFeaturizer.set_n_jobs()
    • StackedFeaturizer
      • StackedFeaturizer.__init__()
      • StackedFeaturizer.citations()
      • StackedFeaturizer.feature_labels()
      • StackedFeaturizer.featurize()
      • StackedFeaturizer.implementors()
  • matminer.featurizers.conversions module
    • ASEAtomstoStructure
      • ASEAtomstoStructure.__init__()
      • ASEAtomstoStructure.featurize()
      • ASEAtomstoStructure.implementors()
    • CompositionToOxidComposition
      • CompositionToOxidComposition.__init__()
      • CompositionToOxidComposition.citations()
      • CompositionToOxidComposition.featurize()
      • CompositionToOxidComposition.implementors()
    • CompositionToStructureFromMP
      • CompositionToStructureFromMP.__init__()
      • CompositionToStructureFromMP.citations()
      • CompositionToStructureFromMP.featurize()
      • CompositionToStructureFromMP.implementors()
    • ConversionFeaturizer
      • ConversionFeaturizer.__init__()
      • ConversionFeaturizer.citations()
      • ConversionFeaturizer.feature_labels()
      • ConversionFeaturizer.featurize()
      • ConversionFeaturizer.featurize_dataframe()
      • ConversionFeaturizer.implementors()
    • DictToObject
      • DictToObject.__init__()
      • DictToObject.citations()
      • DictToObject.featurize()
      • DictToObject.implementors()
    • JsonToObject
      • JsonToObject.__init__()
      • JsonToObject.citations()
      • JsonToObject.featurize()
      • JsonToObject.implementors()
    • PymatgenFunctionApplicator
      • PymatgenFunctionApplicator.__init__()
      • PymatgenFunctionApplicator.featurize()
      • PymatgenFunctionApplicator.implementors()
    • StrToComposition
      • StrToComposition.__init__()
      • StrToComposition.citations()
      • StrToComposition.featurize()
      • StrToComposition.implementors()
    • StructureToComposition
      • StructureToComposition.__init__()
      • StructureToComposition.citations()
      • StructureToComposition.featurize()
      • StructureToComposition.implementors()
    • StructureToIStructure
      • StructureToIStructure.__init__()
      • StructureToIStructure.citations()
      • StructureToIStructure.featurize()
      • StructureToIStructure.implementors()
    • StructureToOxidStructure
      • StructureToOxidStructure.__init__()
      • StructureToOxidStructure.citations()
      • StructureToOxidStructure.featurize()
      • StructureToOxidStructure.implementors()
  • matminer.featurizers.dos module
    • DOSFeaturizer
      • DOSFeaturizer.__init__()
      • DOSFeaturizer.citations()
      • DOSFeaturizer.feature_labels()
      • DOSFeaturizer.featurize()
      • DOSFeaturizer.implementors()
    • DopingFermi
      • DopingFermi.__init__()
      • DopingFermi.citations()
      • DopingFermi.feature_labels()
      • DopingFermi.featurize()
      • DopingFermi.implementors()
    • DosAsymmetry
      • DosAsymmetry.__init__()
      • DosAsymmetry.citations()
      • DosAsymmetry.feature_labels()
      • DosAsymmetry.featurize()
      • DosAsymmetry.implementors()
    • Hybridization
      • Hybridization.__init__()
      • Hybridization.citations()
      • Hybridization.feature_labels()
      • Hybridization.featurize()
      • Hybridization.implementors()
    • SiteDOS
      • SiteDOS.__init__()
      • SiteDOS.citations()
      • SiteDOS.feature_labels()
      • SiteDOS.featurize()
      • SiteDOS.implementors()
    • get_cbm_vbm_scores()
    • get_site_dos_scores()
  • matminer.featurizers.function module
    • FunctionFeaturizer
      • FunctionFeaturizer.ILLEGAL_CHARACTERS
      • FunctionFeaturizer.__init__()
      • FunctionFeaturizer.citations()
      • FunctionFeaturizer.exp_dict
      • FunctionFeaturizer.feature_labels()
      • FunctionFeaturizer.featurize()
      • FunctionFeaturizer.fit()
      • FunctionFeaturizer.generate_string_expressions()
      • FunctionFeaturizer.implementors()
    • generate_expressions_combinations()
  • Module contents
• matminer.utils package
  • Subpackages
    • matminer.utils.data_files package
      • Submodules
      • matminer.utils.data_files.deml_elementdata module
      • Module contents
    • matminer.utils.tests package
      • Submodules
      • 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
      • Module contents
  • Submodules
  • matminer.utils.caching module
    • get_all_nearest_neighbors()
    • get_nearest_neighbors()
  • matminer.utils.data module
    • AbstractData
      • AbstractData.get_elemental_properties()
      • AbstractData.get_elemental_property()
    • CohesiveEnergyData
      • CohesiveEnergyData.__init__()
      • CohesiveEnergyData.get_elemental_property()
    • DemlData
      • DemlData.__init__()
      • DemlData.get_charge_dependent_property()
      • DemlData.get_elemental_property()
      • DemlData.get_oxidation_states()
    • IUCrBondValenceData
      • IUCrBondValenceData.__init__()
      • IUCrBondValenceData.get_bv_params()
      • IUCrBondValenceData.interpolate_soft_anions()
    • MEGNetElementData
      • MEGNetElementData.__init__()
      • MEGNetElementData.get_elemental_property()
    • MagpieData
      • MagpieData.__init__()
      • MagpieData.get_elemental_property()
      • MagpieData.get_oxidation_states()
    • MatscholarElementData
      • MatscholarElementData.__init__()
      • MatscholarElementData.get_elemental_property()
    • MixingEnthalpy
      • MixingEnthalpy.__init__()
      • MixingEnthalpy.get_mixing_enthalpy()
    • OxidationStateDependentData
      • OxidationStateDependentData.get_charge_dependent_property()
      • OxidationStateDependentData.get_charge_dependent_property_from_specie()
    • OxidationStatesMixin
      • OxidationStatesMixin.get_oxidation_states()
    • PymatgenData
      • PymatgenData.__init__()
      • PymatgenData.get_charge_dependent_property()
      • PymatgenData.get_elemental_property()
      • PymatgenData.get_oxidation_states()
  • matminer.utils.flatten_dict module
    • flatten_dict()
  • matminer.utils.io module
    • load_dataframe_from_json()
    • store_dataframe_as_json()
  • matminer.utils.kernels module
    • gaussian_kernel()
    • laplacian_kernel()
  • matminer.utils.pipeline module
    • DropExcluded
      • DropExcluded.__init__()
      • DropExcluded.fit()
      • DropExcluded.transform()
    • ItemSelector
      • ItemSelector.__init__()
      • ItemSelector.fit()
      • ItemSelector.transform()
  • matminer.utils.utils module
    • homogenize_multiindex()
  • Module contents

Module contents

library for data mining materials properties