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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.

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  2. xyz2mol xyz2mol Public

    Converts an xyz file to an RDKit mol object

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  3. molcalc molcalc Public

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

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  4. GB_GA GB_GA Public

    Graph-based genetic algorithm

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  5. GB-GM GB-GM Public

    Graph-based generative model

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  6. protonator protonator Public

    Quick and dirty protonation

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