mlchem.ml package

Subpackages

• mlchem.ml.feature_selection package
  • Submodules
    • mlchem.ml.feature_selection.filters module
      • collinearity_filter()
      • diversity_filter()
    • mlchem.ml.feature_selection.wrappers module
      • CombinatorialSelection
      • SequentialForwardSelection
• mlchem.ml.modelling package
  • Submodules
    • mlchem.ml.modelling.model_evaluation module
      • ApplicabilityDomain
      • MajorityVote
      • crossval()
      • y_scrambling()
    • mlchem.ml.modelling.model_interpretation module
      • DescriptorExplainer
      • ShapExplainer
• mlchem.ml.preprocessing package
  • Submodules
    • mlchem.ml.preprocessing.dimensional_reduction module
      • Compressor
    • mlchem.ml.preprocessing.feature_transformation module
      • polynomial_expansion()
    • mlchem.ml.preprocessing.scaling module
      • scale_df_minmax()
      • scale_df_robust()
      • scale_df_standard()
      • transform_df()
    • mlchem.ml.preprocessing.undersampling module
      • check_class_balance()
      • undersample()