mlchem package

• chem and ml subpackages
  • mlchem.chem package
    • Subpackages
      • mlchem.chem.calculator package
      • mlchem.chem.visualise package
    • Submodules
      • mlchem.chem.manipulation module
  • mlchem.ml package
    • Subpackages
      • mlchem.ml.feature_selection package
      • mlchem.ml.modelling package
      • mlchem.ml.preprocessing package
  • mlchem.helper module
    • add_inchi_to_dataframe()
    • assign_sign()
    • bokeh_plot()
    • compute_alpha()
    • convert_rgb()
    • convert_size()
    • count_features()
    • create_mask()
    • create_progressive_column_names()
    • create_smooth_gradient_circle()
    • create_structure_files()
    • dfs_to_excel()
    • find_all_occurrences()
    • flatten()
    • generate_combination_cascade()
    • generate_random_rgb()
    • identify_df_duplicates()
    • insert_string_piece()
    • loadingbar()
    • make_rgb_transparent()
    • merge_dicts_with_duplicates()
    • normalise_iterable()
    • prepare_dataframe()
    • prepare_datatable()
    • process_custom_string()
    • reset_string()
    • show_png()
    • size_ratio()
    • sort_list_by_other_list()
    • standardise_path()
    • suppress_warnings()
    • try_except()
    • visualise_colour()
    • visualise_colour_grid()
  • mlchem.importables module
  • mlchem.metrics module
    • AllBitSimilarity()
    • AsymmetricSimilarity()
    • BraunBlanquetSimilarity()
    • CosineSimilarity()
    • DiceSimilarity()
    • FingerprintSimilarity()
    • KulczynskiSimilarity()
    • McConnaugheySimilarity()
    • OffBitProjSimilarity()
    • OnBitSimilarity()
    • RogotGoldbergSimilarity()
    • RusselSimilarity()
    • SokalSimilarity()
    • TanimotoSimilarity()
    • TverskySimilarity()
    • get_geometric_S()
    • get_mcc()
    • get_r2()
    • get_rmse()
    • get_sensitivity()
    • get_specificity()
    • rmse_to_std_ratio()