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  1. volkamerlab/teachopencadd volkamerlab/teachopencadd Public

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

    Jupyter Notebook 777 206

  2. volkamerlab/opencadd volkamerlab/opencadd Public

    A Python library for structural cheminformatics

    Python 93 18

  3. volkamerlab/kissim volkamerlab/kissim Public

    Subpocket-based fingerprint for kinase pocket comparison

    Python 31 4

  4. volkamerlab/kissim_app volkamerlab/kissim_app Public

    Kinome-wide structural pocket similarity

    Jupyter Notebook 10 3

  5. volkamerlab/KinFragLib volkamerlab/KinFragLib Public

    Kinase-focused fragment library

    Jupyter Notebook 64 14

  6. wolberlab/dynophores wolberlab/dynophores Public

    Dynamic pharmacophore modeling of molecular interactions

    Promela 31 7