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@volkamerlab

Volkamer Lab

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

    Jupyter Notebook 362 123

  2. opencadd Public

    A Python library for structural cheminformatics

    Python 56 12

  3. KinFragLib Public

    Kinase-focused fragment library

    Jupyter Notebook 48 13

  4. kissim Public

    Subpocket-based fingerprint for kinase pocket comparison

    Python 19 4

  5. maxsmi Public

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

    Jupyter Notebook 16 4

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