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@volkamerlab

Volkamer Lab

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  1. teachopencadd teachopencadd Public

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

    Jupyter Notebook 691 192

  2. opencadd opencadd Public

    A Python library for structural cheminformatics

    Python 88 18

  3. KinFragLib KinFragLib Public

    Kinase-focused fragment library

    Jupyter Notebook 59 13

  4. kissim kissim Public

    Subpocket-based fingerprint for kinase pocket comparison

    Python 29 4

  5. maxsmi maxsmi Public

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

    Jupyter Notebook 28 4

Repositories

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