obelix
Contents:
API Reference
obelix
Overview: module code
All modules for which code is available
example_workflow
obelix.descriptor_calculator
obelix.dft_extraction
obelix.free_ligand
obelix.model_structure_generator
obelix.molecular_graph
obelix.run_workflow
obelix.tools.find_bidentate_atoms
obelix.tools.mace_substrate_remover
obelix.tools.utilities