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Computational Biochemistry Group

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  1. TransMEP TransMEP Public

    Transfer learning for Mutation Effect Prediction

    Python 17 2

  2. OLIGAMIX OLIGAMIX Public

    OLIGAMIX: A lightweight and extensible analysis tool for tracking oligomerization states and inter-chain contact networks from molecular dynamics (MD) simulations.

    Python 14 4

  3. ATRANET ATRANET Public

    Python 14 3

  4. Charmm36mW-FF Charmm36mW-FF Public

    The new optimised Charmm36mW force field model.

    2

  5. Automated-Transition-Networks_v.Beta Automated-Transition-Networks_v.Beta Public

    Python 1 1

  6. TICAgg TICAgg Public

    Jupyter Notebook 1 2

Repositories

Showing 10 of 11 repositories
  • MD-Analyses-Scripts Public

    This repository is meant to collect various smaller molecular dynamics scripts used by the strodel group.

    strodel-group/MD-Analyses-Scripts's past year of commit activity
    Python 1 0 0 0 Updated Aug 8, 2025
  • OLIGAMIX Public

    OLIGAMIX: A lightweight and extensible analysis tool for tracking oligomerization states and inter-chain contact networks from molecular dynamics (MD) simulations.

    strodel-group/OLIGAMIX's past year of commit activity
    Python 14 4 0 0 Updated Jul 20, 2025
  • DRIDmetric Public Forked from MoSchaeffler/DRIDmetric

    Python class to calculate the firs three moments of the Distribution of Reciprocal Interatomic Distances (DRID) for a given Molecular Dynamics trajectory. This can be used as structure preserving dimensionality reduction method for subsequent clustering.

    strodel-group/DRIDmetric's past year of commit activity
    Python 1 1 0 0 Updated May 19, 2025
  • freeEnergyCalculation Public Forked from MoSchaeffler/freeEnergyCalculation

    Python project to calculate the free energy landscape from a Transition Matrix. Primarily developed to get the free energy landscape explored during a Molecular Dynmaics Simulation.

    strodel-group/freeEnergyCalculation's past year of commit activity
    Python 0 1 0 0 Updated Jun 12, 2024
  • ATRANET Public
    strodel-group/ATRANET's past year of commit activity
    Python 14 3 1 0 Updated Jun 4, 2024
  • Charmm36m_Azobenzene-FF Public

    Charmm36m forcefield with an extention for Azobenzene

    strodel-group/Charmm36m_Azobenzene-FF's past year of commit activity
    0 0 1 0 Updated Feb 15, 2024
  • TransMEP Public

    Transfer learning for Mutation Effect Prediction

    strodel-group/TransMEP's past year of commit activity
    Python 17 MIT 2 0 0 Updated Feb 13, 2024
  • Charmm36mW-FF Public

    The new optimised Charmm36mW force field model.

    strodel-group/Charmm36mW-FF's past year of commit activity
    2 0 0 0 Updated Sep 24, 2021
  • AMBER99SB-UCB Public
    strodel-group/AMBER99SB-UCB's past year of commit activity
    1 2 0 0 Updated Jul 9, 2021
  • Automated-Transition-Networks_v.Beta Public
    strodel-group/Automated-Transition-Networks_v.Beta's past year of commit activity
    Python 1 1 0 0 Updated Feb 10, 2020
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