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  1. openkinome/kinoml openkinome/kinoml Public

    Structure-informed machine learning for kinase modeling

    Jupyter Notebook 48 21

  2. volkamerlab/teachopencadd volkamerlab/teachopencadd Public

    TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

    Jupyter Notebook 734 199

  3. volkamerlab/maxsmi volkamerlab/maxsmi Public

    maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.

    Jupyter Notebook 28 4