Pinned

1. mms-fcul/PypKa Public

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

   Python 34 7

2. mms-fcul/PypKa-MD Public

   PypKa + MD = constant-pH molecular dynamics

   Python 1

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

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

   Python 22 5

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

   Protein Environment Graph Embeddings

   Python 7 1

5. mms-fcul/pKPDB Public

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

   Jupyter Notebook 2 1

6. mms-fcul/pdbmender Public

   Mend PDB files. Clean structures and add Hydrogen tautomeric positions

   Python