Skip to content
@HITS-MBM

HITS gGmbH – Molecular Biomechanics (MBM)

The Molecular Biomechanics group, headed by Dr. Frauke Gräter, makes use and further develops various computational and theoretical techniques.

Popular repositories Loading

  1. conan conan Public

    Analysis of contacts in molecular dynamics trajectories

    Python 41 13

  2. gromacs-fda gromacs-fda Public

    Force Distribution Analysis (FDA) for GROMACS

    C++ 30 12

  3. kimmdy kimmdy Public

    reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)

    Python 10 4

  4. gromacs-fda-vmd gromacs-fda-vmd Public

    VMD plugins to visualize pairwise forces and atomic stress

    PostScript 1 2

  5. HAT_prediction_GNN HAT_prediction_GNN Public

    Graph NN models for predicting HAT energy barriers

    PureBasic 1

  6. fda-archive fda-archive Public

    Older Force Distribution Analysis for GROMACS versions

Repositories

Showing 10 of 13 repositories
  • gromacs-fda Public

    Force Distribution Analysis (FDA) for GROMACS

    HITS-MBM/gromacs-fda’s past year of commit activity
    C++ 30 12 7 0 Updated Jun 18, 2024
  • col_breaker Public

    Simulation code of a super coarse grained collagen model, that is breakable under force.

    HITS-MBM/col_breaker’s past year of commit activity
    Python 0 0 0 0 Updated Nov 10, 2023
  • HAT_prediction_GNN Public

    Graph NN models for predicting HAT energy barriers

    HITS-MBM/HAT_prediction_GNN’s past year of commit activity
    PureBasic 1 MIT 0 0 0 Updated Feb 7, 2023
  • gromacs-developments Public Forked from gromacs/gromacs

    A development version of GROMACS with extra feature branches by Molecular Biomechanics (MBM) group at HITS.

    HITS-MBM/gromacs-developments’s past year of commit activity
    C++ 0 LGPL-2.1 334 0 0 Updated Nov 8, 2021
  • gromacs-fda-vmd Public

    VMD plugins to visualize pairwise forces and atomic stress

    HITS-MBM/gromacs-fda-vmd’s past year of commit activity
    PostScript 1 2 0 0 Updated Feb 12, 2020
  • kimmdy Public

    reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)

    HITS-MBM/kimmdy’s past year of commit activity
    Python 10 GPL-3.0 4 0 0 Updated Nov 19, 2019
  • conan Public

    Analysis of contacts in molecular dynamics trajectories

    HITS-MBM/conan’s past year of commit activity
    Python 41 GPL-3.0 13 3 0 Updated Nov 4, 2019
  • redox-potential Public

    Redox potential of a protein disuflide bond

    HITS-MBM/redox-potential’s past year of commit activity
    Makefile 0 1 1 0 Updated May 13, 2019
  • isopeptide-bonds Public

    Isopeptide bonds forcefield files

    HITS-MBM/isopeptide-bonds’s past year of commit activity
    0 0 0 0 Updated May 13, 2019
  • hits-mbm.github.io Public

    HITS MBM GitHub page

    HITS-MBM/hits-mbm.github.io’s past year of commit activity
    0 0 0 0 Updated Jul 4, 2018
View all repositories

Top languages

Loading…

Most used topics

Loading…