Welcome to ODDT’s documentation!

Contents:

• oddt package
  • Subpackages
    • oddt.docking package
      • Submodules
      • oddt.docking.autodock_vina module
      • Module contents
    • oddt.scoring package
      • Subpackages
        • oddt.scoring.descriptors package
        • oddt.scoring.functions package
        • oddt.scoring.models package
      • Module contents
    • oddt.toolkits package
      • Submodules
      • oddt.toolkits.ob module
      • oddt.toolkits.rdk module
      • Module contents
  • Submodules
  • oddt.interactions module
  • oddt.metrics module
  • oddt.spatial module
  • oddt.virtualscreening module
  • Module contents
    • Open Drug Discovery Toolkit

Open Drug Discovery Toolkit

Universal and easy to use resource for various drug discovery tasks, ie docking, virutal screening, rescoring.

toolkit : module,

Toolkits backend module, currenlty OpenBabel [ob] and RDKit [rdk]. This setting is toolkit-wide, and sets given toolkit as default

Indices and tables

• Index
• Module Index
• Search Page