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20 followers · 17 following
  • MIT
  • Cambridge, MA

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  1. chemprop/chemprop chemprop/chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    Python 1.8k 586

  2. xiaoruiDong/RDMC xiaoruiDong/RDMC Public

    Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.

    Jupyter Notebook 25 1