Skip to content
@steinmanngroup

Steinmann Group

Popular repositories Loading

  1. pepytools pepytools Public

    Python 4 1

  2. smi2sdf smi2sdf Public

    Conversion of SMILES to SDF files through RDKit

    Python 4 6

  3. spectre spectre Public

    SPECTRE is a tool to compute optical properties of molecules in any homo- or heterogenous environment.

    Python 3 1

  4. Umbrella-sampling-in-OpenMM Umbrella-sampling-in-OpenMM Public

    Python 3

  5. RMSD_PP_TS RMSD_PP_TS Public

    Forked from jensengroup/RMSD_PP_TS

    Locate TS based on RMSD-PP method

    Python 3

  6. molecool molecool Public

    molecool: too cool for molecule

    Python 2 1

Repositories

Showing 10 of 11 repositories

Top languages

Loading…

Most used topics

Loading…