Contents:
example_workflow
obelix
obelix.descriptor_calculator
obelix.dft_extraction
obelix.free_ligand
obelix.model_structure_generator
obelix.molecular_graph
obelix.run_workflow
obelix.tools
obelix.tools.find_bidentate_atoms
obelix.tools.mace_substrate_remover
obelix.tools.utilities