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Pinned

  1. Software for biomolecular electrostatics and solvation calculations

    C 44 13

  2. PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

    Python 50 20

  3. PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

    Python 174 57

  4. This code attempts to predict the influence of osmolytes on protein stability

    Python 2

  5. npo Public

    NanoParticle Ontology

    Web Ontology Language 2 5

355 contributions in the last year

Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Mon Wed Fri

Contribution activity

November 2022

Created 1 commit in 1 repository
Reviewed 1 pull request in 1 repository
jensengroup/propka 1 pull request

Created an issue in Electrostatics/apbs that received 1 comment

Provide better examples and documentation for JSON and YAML input

The JSON documentation exists, it just isn't very good. This section of the manual provides an overview of the keys and values expected in JSON- or…

1 comment
Opened 2 other issues in 1 repository

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