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@jensengroup

Jensen Group

Jan H. Jensen Research Group of the Department of Chemistry, University of Copenhagen

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  1. propka propka Public

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

    Python 317 68

  2. xyz2mol xyz2mol Public

    Converts an xyz file to an RDKit mol object

    Python 277 70

  3. GB_GA GB_GA Public

    Graph-based genetic algorithm

    Python 90 32

  4. molcalc molcalc Public

    MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online

    HTML 89 21

  5. GB-GM GB-GM Public

    Graph-based generative model

    Python 25 4

  6. protonator protonator Public

    Quick and dirty protonation

    Jupyter Notebook 17

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