Skip to content
@jensengroup

Jensen Group

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

Popular repositories Loading

  1. propka propka Public

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

    Python 394 80

  2. xyz2mol xyz2mol Public

    Converts an xyz file to an RDKit mol object

    Python 307 68

  3. molcalc molcalc Public

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

    HTML 97 21

  4. GB_GA GB_GA Public

    Graph-based genetic algorithm

    Python 95 32

  5. GB-GM GB-GM Public

    Graph-based generative model

    Python 27 5

  6. xyz2mol_tm xyz2mol_tm Public

    xyz2mol for transition metal complexes.

    Python 22 5

Repositories

Showing 10 of 86 repositories
  • rxembed Public Forked from aligfellow/rxembed

    Constrained conformer embedding for reactive chemistry.

    jensengroup/rxembed's past year of commit activity
    Python 1 MIT 1 0 0 Updated Sep 30, 2026
  • MetaMDPython Public
    jensengroup/MetaMDPython's past year of commit activity
    Python 0 MIT 0 0 0 Updated Sep 29, 2026
  • propka Public

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

    jensengroup/propka's past year of commit activity
    Python 394 LGPL-2.1 80 27 0 Updated Jul 31, 2026
  • drug-degradation Public
    jensengroup/drug-degradation's past year of commit activity
    Python 2 0 0 0 Updated Jul 30, 2026
  • frust-paper Public
    jensengroup/frust-paper's past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated May 18, 2026
  • cheminit Public
    jensengroup/cheminit's past year of commit activity
    Python 1 0 0 0 Updated May 8, 2026
  • RegioSelect Public

    Web application for the prediction of C-H activation.

    jensengroup/RegioSelect's past year of commit activity
    JavaScript 2 MIT 0 0 0 Updated Mar 31, 2026
  • ALWithDecisionTrees Public
    jensengroup/ALWithDecisionTrees's past year of commit activity
    Python 1 MIT 0 0 0 Updated Mar 19, 2026
  • xyz2mol_tm Public

    xyz2mol for transition metal complexes.

    jensengroup/xyz2mol_tm's past year of commit activity
    Python 22 MIT 5 1 1 Updated Feb 6, 2026
  • GB-GM Public

    Graph-based generative model

    jensengroup/GB-GM's past year of commit activity
    Python 27 MIT 5 0 0 Updated Jan 6, 2026
View all repositories

Most used topics

Loading…