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  1. force_fields force_fields Public

    Force fields in various formats

    Python 26 22

  2. ensemble_rdc ensemble_rdc Public

    Fits RDCs to ensembles

    C++ 3

  3. diffit diffit Public

    C++ 1

  4. GREMLIN_RF GREMLIN_RF Public

    Enhanced GREMLIN results with random forests

    Python 1 1

  5. gromacs-2019.4-cg gromacs-2019.4-cg Public

    gromacs with buckingham potential hacked to do various other things

    C++ 1 1

  6. gromacs gromacs Public

    Forked from gromacs/gromacs

    Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

    C++ 1

Repositories

Showing 10 of 13 repositories
  • extended_guinier Public
    Python 0 0 0 0 Updated Jul 3, 2024
  • Ising-Model Public

    Code for analyzing contact formation in molecular dynamics simulations

    C++ 1 0 0 0 Updated May 7, 2024
  • force_fields Public

    Force fields in various formats

    Python 26 22 1 0 Updated May 2, 2024
  • ensemble_rdc Public

    Fits RDCs to ensembles

    C++ 3 0 0 0 Updated Apr 24, 2023
  • Boltzmann-Machine-DCA Public Forked from lfrechette/Boltzmann-Machine-DCA

    Implementation of direct coupling analysis (DCA) for proteins using a Boltzmann machine algorithm.

    C++ 1 6 0 0 Updated Mar 4, 2022
  • diffit Public
    C++ 1 0 0 0 Updated Mar 1, 2022
  • rc_opt Public

    Utitilies for calculating and optimizing reaction coordinates plus a bunch of random stuff

    C++ 0 0 0 0 Updated Jan 27, 2022
  • gromacs Public Forked from gromacs/gromacs

    Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

    C++ 1 347 0 0 Updated Feb 2, 2021
  • sawnu Public
    Python 0 0 0 0 Updated Nov 7, 2020
  • gromacs-2019.4-cg Public

    gromacs with buckingham potential hacked to do various other things

    C++ 1 1 0 0 Updated Nov 25, 2019
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