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  1. MolDrug MolDrug Public

    MolDrug (from Molecule to Drug) is a python package for drug-oriented optimization on the chemical space ​

    Python 9 2

  2. TOFF TOFF Public

    TOFF (Topologies from OpenFF) is a python package to get topologies from the OpenFF initiative

    Jupyter Notebook

  3. StreamJSME StreamJSME Public

    Streamlit component that use JSME to draw 2D molecules and use them on your Streamlit app

    Python 4 1