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Achievement: YOLOAchievement: StarstruckAchievement: Pull SharkAchievement: Arctic Code Vault Contributor

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@mms-fcul @concept-lab @protein-electrostatics

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  1. mms-fcul/PypKa mms-fcul/PypKa Public

    A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism

    Python 57 10

  2. mms-fcul/PypKa-MD mms-fcul/PypKa-MD Public

    PypKa + MD = constant-pH molecular dynamics

    Python 4 1

  3. bayer-science-for-a-better-life/pKAI bayer-science-for-a-better-life/pKAI Public

    pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction

    Python 30 8

  4. bayer-science-for-a-better-life/pege bayer-science-for-a-better-life/pege Public

    Protein Environment Graph Embeddings

    Python 7 1

  5. mms-fcul/pKPDB mms-fcul/pKPDB Public

    Download the database content @ https://pkpdb.pypka.org

    Jupyter Notebook 3 1

  6. mms-fcul/pdbmender mms-fcul/pdbmender Public

    Mend PDB files. Clean structures and add Hydrogen tautomeric positions

    Python