API Reference

This page contains auto-generated API reference documentation [1].

• 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
• example_workflow

[1]

Created with sphinx-autoapi