modnet package

Subpackages

• modnet.featurizers package
  • Subpackages
    • modnet.featurizers.presets package
      • Submodules
      • Module contents
  • Submodules
    • modnet.featurizers.featurizers module
      • MODFeaturizer
    • modnet.featurizers.utils module
      • clean_df()
  • Module contents
    • MODFeaturizer
      • MODFeaturizer.composition_featurizers
      • MODFeaturizer.oxid_composition_featurizers
      • MODFeaturizer.structure_featurizers
      • MODFeaturizer.site_stats
      • MODFeaturizer.featurizer_mode
      • MODFeaturizer.composition_featurizers
      • MODFeaturizer.oxid_composition_featurizers
      • MODFeaturizer.structure_featurizers
      • MODFeaturizer.site_featurizers
      • MODFeaturizer.site_stats
      • MODFeaturizer.featurizer_mode
      • MODFeaturizer.set_n_jobs()
      • MODFeaturizer.set_drop_allnan()
      • MODFeaturizer.featurize()
      • MODFeaturizer.featurize_composition()
      • MODFeaturizer.featurize_structure()
      • MODFeaturizer.featurize_site()
    • clean_df()
• modnet.hyper_opt package
  • Submodules
    • modnet.hyper_opt.fit_genetic module
      • Individual
      • FitGenetic
  • Module contents
    • FitGenetic
      • FitGenetic.initialization_population()
      • FitGenetic.function_fitness()
      • FitGenetic.run()
• modnet.matbench package
  • Submodules
    • modnet.matbench.benchmark module
      • matbench_kfold_splits()
      • matbench_benchmark()
      • train_fold()
  • Module contents
• modnet.model_presets package
  • Submodules
    • modnet.model_presets.presets module
      • gen_presets()
  • Module contents
    • gen_presets()
• modnet.models package
  • Submodules
    • modnet.models.bayesian module
    • modnet.models.ensemble module
      • EnsembleMODNetModel
    • modnet.models.vanilla module
      • MODNetModel
  • Module contents
    • MODNetModel
      • MODNetModel.n_feat
      • MODNetModel.weights
      • MODNetModel.optimal_descriptors
      • MODNetModel.model
      • MODNetModel.target_names
      • MODNetModel.can_return_uncertainty
      • MODNetModel.build_model()
      • MODNetModel.fit()
      • MODNetModel.fit_preset()
      • MODNetModel.predict()
      • MODNetModel.evaluate()
      • MODNetModel.save()
      • MODNetModel.load()
      • MODNetModel.get_params()
      • MODNetModel.set_params()
    • EnsembleMODNetModel
      • EnsembleMODNetModel.n_feat
      • EnsembleMODNetModel.weights
      • EnsembleMODNetModel.optimal_descriptors
      • EnsembleMODNetModel.model
      • EnsembleMODNetModel.target_names
      • EnsembleMODNetModel.can_return_uncertainty
      • EnsembleMODNetModel.fit()
      • EnsembleMODNetModel.predict()
      • EnsembleMODNetModel.evaluate()
      • EnsembleMODNetModel.fit_preset()

Submodules

• modnet.ext_data module
  • Usage
    • Usage.cross_nmi
    • Usage.feature_db
  • Dataset
    • Dataset.description
    • Dataset.filename
    • Dataset.md5
    • Dataset.url
    • Dataset.usage
  • load_ext_dataset()
• modnet.preprocessing module
  • CompositionContainer
  • compute_mi()
  • map_mi()
  • nmi_target()
  • get_cross_nmi()
  • get_rr_p_parameter_default()
  • get_rr_c_parameter_default()
  • get_features_relevance_redundancy()
  • get_features_dyn()
  • merge_ranked()
  • MODData
    • MODData.df_structure
    • MODData.df_targets
    • MODData.df_featurized
    • MODData.optimal_features
    • MODData.optimal_features_by_target
    • MODData.featurizer
    • MODData.__modnet_version__
    • MODData.cross_nmi
    • MODData.feature_entropy
    • MODData.num_classes
    • MODData.featurize()
    • MODData.feature_selection()
    • MODData.shuffle()
    • MODData.rebalance()
    • MODData.structures
    • MODData.compositions
    • MODData.targets
    • MODData.names
    • MODData.target_names
    • MODData.structure_ids
    • MODData.save()
    • MODData.load()
    • MODData.load_precomputed()
    • MODData.get_structure_df()
    • MODData.get_target_df()
    • MODData.get_featurized_df()
    • MODData.get_optimal_descriptors()
    • MODData.get_optimal_df()
    • MODData.split()
    • MODData.from_indices()
• modnet.sklearn module
  • MODNetFeaturizer
    • MODNetFeaturizer.fit()
    • MODNetFeaturizer.transform()
    • MODNetFeaturizer.from_preset()
  • RR
    • RR.n_feat
    • RR.optimal_descriptors
    • RR.fit()
    • RR.transform()
  • MODNet
    • MODNet.fit()
    • MODNet.predict()
• modnet.utils module
  • get_hash_of_file()

Module contents