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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 707 196

  2. opencadd opencadd Public

    A Python library for structural cheminformatics

    Python 89 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 30 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

Showing 10 of 33 repositories
  • 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 0 MIT 3 0 2 Updated Jul 8, 2024
  • KinFragLib Public

    Kinase-focused fragment library

    volkamerlab/KinFragLib’s past year of commit activity
    Jupyter Notebook 59 MIT 13 4 2 Updated Jul 8, 2024
  • volkamerlab_org Public

    Hugo website for volkamerlab.org

    volkamerlab/volkamerlab_org’s past year of commit activity
    CSS 6 12 13 (1 issue needs help) 0 Updated Jul 4, 2024
  • kinodata-3D Public

    Protein kinase-ligand complex generation using template docking

    volkamerlab/kinodata-3D’s past year of commit activity
    Jupyter Notebook 2 MIT 0 0 0 Updated Jul 4, 2024
  • 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 707 CC-BY-4.0 196 42 (5 issues need help) 11 Updated Jun 24, 2024
  • CACHE5_public Public

    Workflow for the CACHE5 submission of the Volkamer Lab

    volkamerlab/CACHE5_public’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Jun 21, 2024
  • DockM8 Public Forked from DrugBud-Suite/DockM8

    All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.

    volkamerlab/DockM8’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 2 0 0 Updated Jun 21, 2024
  • KinaseFocusedFragmentLibrary Public

    Subpocket-based fragmentation and recombination of kinase inhibitors

    volkamerlab/KinaseFocusedFragmentLibrary’s past year of commit activity
    Python 6 MIT 0 4 1 Updated May 6, 2024
  • Transformers4MPP_review Public

    Supplementary information for creating the figures in the review

    volkamerlab/Transformers4MPP_review’s past year of commit activity
    Jupyter Notebook 2 MIT 1 0 0 Updated Apr 8, 2024
  • opencadd Public

    A Python library for structural cheminformatics

    volkamerlab/opencadd’s past year of commit activity
    Python 89 MIT 18 25 4 Updated Feb 25, 2024
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