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@openmm

OpenMM

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

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  1. openmm openmm Public

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

    C++ 1.6k 544

  2. pdbfixer pdbfixer Public

    PDBFixer fixes problems in PDB files

    Python 534 119

  3. openmmforcefields openmmforcefields Public

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

    Rich Text Format 286 84

  4. openmm-torch openmm-torch Public

    OpenMM plugin to define forces with neural networks

    C++ 193 29

  5. openmm-tensorflow openmm-tensorflow Public

    OpenMM plugin to define forces with neural networks

    C++ 32 6

  6. openmm-plumed openmm-plumed Public

    OpenMM plugin to interface with PLUMED

    C++ 66 24

Repositories

Showing 10 of 20 repositories
  • openmmforcefields Public

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

    openmm/openmmforcefields’s past year of commit activity
    Rich Text Format 286 84 85 3 Updated Apr 10, 2025
  • openmm Public

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

    openmm/openmm’s past year of commit activity
    C++ 1,582 544 501 21 Updated Apr 2, 2025
  • openmm-org Public

    Content of https://openmm.org

    openmm/openmm-org’s past year of commit activity
    Vue 4 14 14 2 Updated Mar 19, 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 101 27 23 4 Updated Mar 12, 2025
  • pdbfixer Public

    PDBFixer fixes problems in PDB files

    openmm/pdbfixer’s past year of commit activity
    Python 534 119 48 2 Updated Mar 7, 2025
  • openmm-plumed Public

    OpenMM plugin to interface with PLUMED

    openmm/openmm-plumed’s past year of commit activity
    C++ 66 24 15 (1 issue needs help) 2 Updated Feb 28, 2025
  • NNPOps Public

    High-performance operations for neural network potentials

    openmm/NNPOps’s past year of commit activity
    C++ 93 20 22 (6 issues need help) 6 Updated Feb 28, 2025
  • openmm-torch Public

    OpenMM plugin to define forces with neural networks

    openmm/openmm-torch’s past year of commit activity
    C++ 193 29 28 (7 issues need help) 3 Updated Feb 24, 2025
  • spice-dataset Public

    A collection of QM data for training potential functions

    openmm/spice-dataset’s past year of commit activity
    Python 168 MIT 9 17 2 Updated Feb 18, 2025
  • openmm-xtb Public

    OpenMM plugin to interface with XTB

    openmm/openmm-xtb’s past year of commit activity
    C++ 16 MIT 4 1 1 Updated Feb 12, 2025

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