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@openmm

OpenMM

OpenMM is a toolkit for molecular simulation using high performance GPU code

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  1. openmmopenmmPublic

    OpenMM is a toolkit for molecular simulation using high performance GPU code.

    C++ 1.8k 576

  2. pdbfixerpdbfixerPublic

    PDBFixer fixes problems in PDB files

    Python 612 128

  3. openmmforcefieldsopenmmforcefieldsPublic

    CHARMM and AMBER forcefields for OpenMM (with small molecule support)

    Rich Text Format 340 86

  4. openmm-torchopenmm-torchPublic

    OpenMM plugin to define forces with neural networks

    C++ 218 28

  5. openmm-tensorflowopenmm-tensorflowPublic

    OpenMM plugin to define forces with neural networks

    C++ 32 6

  6. openmm-plumedopenmm-plumedPublic

    OpenMM plugin to interface with PLUMED

    C++ 73 24

Repositories

Showing 10 of 25 repositories
  • openmmforcefields Public

    CHARMM and AMBER forcefields for OpenMM (with small molecule support)

    openmm/openmmforcefields’s past year of commit activity
    Rich Text Format 340 86 89 1 Updated Dec 18, 2025
  • openmm-ml Public

    High level API for using machine learning models in OpenMM simulations

    openmm/openmm-ml’s past year of commit activity
    Python 135 36 27 2 Updated Dec 16, 2025
  • openmm-org Public

    Content of https://openmm.org

    openmm/openmm-org’s past year of commit activity
    Vue 4 14 13 3 Updated Dec 15, 2025
  • openmm Public

    OpenMM is a toolkit for molecular simulation using high performance GPU code.

    openmm/openmm’s past year of commit activity
    C++ 1,754 576 396 20 Updated Dec 14, 2025
  • NNPOps Public

    High-performance operations for neural network potentials

    openmm/NNPOps’s past year of commit activity
    C++ 95 19 23(6 issues need help) 7 Updated Dec 5, 2025
  • openmm-cookbook Public

    The OpenMM Cookbook and Tutorials

    openmm/openmm-cookbook’s past year of commit activity
    Jupyter Notebook 53 12 13 3 Updated Dec 1, 2025
  • openmm-build-wheels Public

    Infrastructure to build Python wheels for OpenMM

    openmm/openmm-build-wheels’s past year of commit activity
    Python 2MIT 1 0 0 Updated Nov 24, 2025
  • openmm-ml-build-wheels Public

    Infrastructure for building Python wheels for OpenMM-ML

    openmm/openmm-ml-build-wheels’s past year of commit activity
    0 MIT 1 0 0 Updated Nov 17, 2025
  • openmm-torch-build-wheels Public

    Infrastructure to build Python wheels for OpenMM-Torch

    openmm/openmm-torch-build-wheels’s past year of commit activity
    Python0 MIT 2 0 2 Updated Nov 7, 2025
  • openmm-xtb Public

    OpenMM plugin to interface with XTB

    openmm/openmm-xtb’s past year of commit activity
    C++ 19MIT 4 1 1 Updated Nov 5, 2025
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