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

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