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Deep Origin Python client

Welcome to the DeepOrigin Client documentation. Use the menu on the left/above for the instructions on how to to install, configure and use this SDK for drug discovery.

  • Use Deep Origin Tools
    Run Docking, molprops, FEP and other molecular modeling tools
  • Free and open-source
    Install onto your own computer.
  • Easy to install
    Just run pip install deeporigin (or uv add deeporigin).
  • Pure Python
    Lightweight, written in pure Python. Works on any system that can run Python.