Dark Mode

Skip to content

Navigation Menu

Sign in
Appearance settings
jensengroup

Search code, repositories, users, issues, pull requests...

Provide feedback

We read every piece of feedback, and take your input very seriously.

Saved searches

Use saved searches to filter your results more quickly

Sign up
Appearance settings

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 338 72

  2. xyz2mol xyz2mol Public

    Converts an xyz file to an RDKit mol object

    Python 297 69

  3. GB_GA GB_GA Public

    Graph-based genetic algorithm

    Python 95 32

  4. molcalc molcalc Public

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

    HTML 92 22

  5. GB-GM GB-GM Public

    Graph-based generative model

    Python 26 5

  6. xyz2mol_tm xyz2mol_tm Public

    xyz2mol for transition metal complexes.

    Python 19 5

Repositories

Loading
Type
Select type
Language
Select language
Sort
Select order
Showing 10 of 80 repositories

Top languages

Loading...

Most used topics

Loading...