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Deep Origin Python client

  • 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.

Example

The Deep Origin CLI and Python client allow you to programmatically interact with the Deep Origin OS .

For example:

from deeporigin.drug_discovery import Ligand

ligand = Ligand.from_identifier("serotonin")

ligand.show()