README.md
pyproject.toml
setup.py
DescripyTor.egg-info/PKG-INFO
DescripyTor.egg-info/SOURCES.txt
DescripyTor.egg-info/dependency_links.txt
DescripyTor.egg-info/requires.txt
DescripyTor.egg-info/top_level.txt
MolFeatures/__init__.py
MolFeatures/__main__.py
MolFeatures/Getting_started_with_examples/descriptor_extraction_toolkit/_dx_check.py
MolFeatures/Getting_started_with_examples/descriptor_extraction_toolkit/descriptor_extractor.py
MolFeatures/Getting_started_with_examples/descriptor_extraction_toolkit/feature_packages.py
MolFeatures/Getting_started_with_examples/descriptor_extraction_toolkit/make_picker.py
MolFeatures/Getting_started_with_examples/descriptor_extraction_toolkit/webapp/app.py
MolFeatures/M1_pre_calculations/__init__.py
MolFeatures/M1_pre_calculations/main.py
MolFeatures/M1_pre_calculations/outwards_senders.py
MolFeatures/M1_pre_calculations/pre_calculation_editors.py
MolFeatures/M2_data_extractor/__init__.py
MolFeatures/M2_data_extractor/cube_sterimol.py
MolFeatures/M2_data_extractor/data_extractor.py
MolFeatures/M2_data_extractor/feather_extractor.py
MolFeatures/M2_data_extractor/feature_extraction_gui.html
MolFeatures/M2_data_extractor/gaussian_handler.py
MolFeatures/M2_data_extractor/gui_server.py
MolFeatures/M2_data_extractor/morfeus_sterics.py
MolFeatures/M2_data_extractor/sterimol_standalone.py
MolFeatures/M2_data_extractor/extractor_utils/__init__.py
MolFeatures/M2_data_extractor/extractor_utils/bond_angle_length_utils.py
MolFeatures/M2_data_extractor/extractor_utils/dipole_utils.py
MolFeatures/M2_data_extractor/extractor_utils/sterimol_utils.py
MolFeatures/M2_data_extractor/extractor_utils/sterimol_utils_old.py
MolFeatures/M2_data_extractor/extractor_utils/vibrations_utils.py
MolFeatures/M3_modeler/__init__.py
MolFeatures/M3_modeler/modeling.py
MolFeatures/M3_modeler/modeling_utils.py
MolFeatures/M3_modeler/plot.py
MolFeatures/M3_modeler/plot_backup.py
MolFeatures/MolAlign/MCS_optimization.py
MolFeatures/MolAlign/RDKIT_utils.py
MolFeatures/MolAlign/__init__.py
MolFeatures/MolAlign/df_funs.py
MolFeatures/MolAlign/extract_bo.py
MolFeatures/MolAlign/fmcs.py
MolFeatures/MolAlign/gaussian_handler.py
MolFeatures/MolAlign/loss.py
MolFeatures/MolAlign/pybel_ff.py
MolFeatures/MolAlign/renumbering.py
MolFeatures/MolAlign/rotations.py
MolFeatures/MolAlign/trial.py
MolFeatures/MolAlign/molecules/results/json_swap.py
MolFeatures/utils/__init__.py
MolFeatures/utils/_build_viewer_nb.py
MolFeatures/utils/constants.py
MolFeatures/utils/file_handlers.py
MolFeatures/utils/help_functions.py
MolFeatures/utils/mcs_and_alignment.py
MolFeatures/utils/obabel_wrappers.py
MolFeatures/utils/rdkit_nx_wrappers.py
MolFeatures/utils/rdkit_utils.py
MolFeatures/utils/visualize.py