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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 963 224

  2. opencadd opencadd Public

    A Python library for structural cheminformatics

    Python 104 21

  3. KinFragLib KinFragLib Public

    Kinase-focused fragment library

    Jupyter Notebook 67 16

  4. kissim kissim Public

    Subpocket-based fingerprint for kinase pocket comparison

    Python 33 5

  5. maxsmi maxsmi Public

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

    Jupyter Notebook 34 4

Repositories

Showing 10 of 48 repositories
  • teachopencadd Public

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

    volkamerlab/teachopencadd’s past year of commit activity
    Jupyter Notebook 963 CC-BY-4.0 224 54 (2 issues need help) 14 Updated Feb 17, 2026
  • CADDSeminar_2025 Public
    volkamerlab/CADDSeminar_2025’s past year of commit activity
    Jupyter Notebook 2 MIT 1 1 2 Updated Feb 6, 2026
  • volkamerlab_org Public

    Hugo website for volkamerlab.org

    volkamerlab/volkamerlab_org’s past year of commit activity
    CSS 6 14 5 (1 issue needs help) 0 Updated Feb 3, 2026
  • KinFragLib Public

    Kinase-focused fragment library

    volkamerlab/KinFragLib’s past year of commit activity
    Jupyter Notebook 67 MIT 16 4 0 Updated Jan 28, 2026
  • KinaseFocusedFragmentLibrary Public

    Subpocket-based fragmentation and recombination of kinase inhibitors

    volkamerlab/KinaseFocusedFragmentLibrary’s past year of commit activity
    Python 8 MIT 0 4 2 Updated Jan 26, 2026
  • Programming4RADAR Public
    volkamerlab/Programming4RADAR’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jan 14, 2026
  • MORGOTH Public

    MORGOTH

    volkamerlab/MORGOTH’s past year of commit activity
    Python 2 0 0 0 Updated Dec 19, 2025
  • KinFragLib_PocketEnum Public

    KinFragLib_PocketEnum

    volkamerlab/KinFragLib_PocketEnum’s past year of commit activity
    Jupyter Notebook 3 MIT 0 0 0 Updated Dec 17, 2025
  • kinodata-3D-affinity-prediction Public

    DL models to test added value of using generated complex data for affinity prediction

    volkamerlab/kinodata-3D-affinity-prediction’s past year of commit activity
    Python 9 MIT 5 1 4 Updated Dec 9, 2025
  • pliar Public

    Protein Ligand Alignment Resource

    volkamerlab/pliar’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Nov 26, 2025
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