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@strodel-group

Computational Biochemistry Group

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  1. TransMEP TransMEP Public

    Transfer learning for Mutation Effect Prediction

    Python 15 1

  2. ATRANET ATRANET Public

    Python 13 2

  3. Oligomerization-State_and_Contact-Map Oligomerization-State_and_Contact-Map Public

    Python 11 4

  4. Automated-Transition-Networks_v.Beta Automated-Transition-Networks_v.Beta Public

    Python 1 1

  5. AMBER99SB-UCB AMBER99SB-UCB Public

    1 2

  6. Charmm36mW-FF Charmm36mW-FF Public

    The new optimised Charmm36mW force field model.

    1

Repositories

Showing 10 of 10 repositories
  • 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 13 2 1 0 Updated Jun 4, 2024
  • 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 0 1 0 0 Updated May 31, 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 0 0 Updated Feb 15, 2024
  • TransMEP Public

    Transfer learning for Mutation Effect Prediction

    strodel-group/TransMEP’s past year of commit activity
    Python 15 MIT 1 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
    1 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
  • Oligomerization-State_and_Contact-Map Public
    strodel-group/Oligomerization-State_and_Contact-Map’s past year of commit activity
    Python 11 4 0 0 Updated Apr 25, 2020
  • 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
  • TICAgg Public
    strodel-group/TICAgg’s past year of commit activity
    Jupyter Notebook 0 2 1 0 Updated Dec 13, 2019

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