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1. moldrug moldrug Public

   moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ​

   Python 12 3

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 5 1