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    • openmm-cookbook

      Public
      The OpenMM Cookbook and Tutorials
      Jupyter Notebook
      1253123Updated Feb 7, 2026Feb 7, 2026
    • pdbfixer-build-wheels

      Public
      Infrastructure to build Python wheels for PDBFixer
      1100Updated Feb 6, 2026Feb 6, 2026
    • openmm-ml

      Public
      High level API for using machine learning models in OpenMM simulations
      Python
      38142234Updated Feb 5, 2026Feb 5, 2026
    • NNPOps

      Public
      High-performance operations for neural network potentials
      C++
      19100216Updated Feb 4, 2026Feb 4, 2026
    • openmm

      Public
      OpenMM is a toolkit for molecular simulation using high performance GPU code.
      C++
      5851.8k40121Updated Jan 30, 2026Jan 30, 2026
    • openmm-plumed

      Public
      OpenMM plugin to interface with PLUMED
      C++
      2574152Updated Jan 15, 2026Jan 15, 2026
    • openmm-org

      Public
      Content of https://openmm.org
      Vue
      144132Updated Jan 14, 2026Jan 14, 2026
    • openmmforcefields

      Public
      CHARMM and AMBER forcefields for OpenMM (with small molecule support)
      Rich Text Format
      86347891Updated Jan 6, 2026Jan 6, 2026
    • openmm-build-wheels

      Public
      Infrastructure to build Python wheels for OpenMM
      Python
      1300Updated Nov 24, 2025Nov 24, 2025
    • openmm-ml-build-wheels

      Public
      Infrastructure for building Python wheels for OpenMM-ML
      1000Updated Nov 17, 2025Nov 17, 2025
    • openmm-torch-build-wheels

      Public
      Infrastructure to build Python wheels for OpenMM-Torch
      Python
      2002Updated Nov 7, 2025Nov 7, 2025
    • openmm-xtb

      Public
      OpenMM plugin to interface with XTB
      C++
      41911Updated Nov 5, 2025Nov 5, 2025
    • openmm-setup

      Public
      An application for configuring and running simulations with OpenMM
      HTML
      177640Updated Oct 30, 2025Oct 30, 2025
    • pdbfixer

      Public
      PDBFixer fixes problems in PDB files
      Python
      128618542Updated Oct 30, 2025Oct 30, 2025
    • openmm-onnx

      Public
      Plugin for using ONNX models in OpenMM
      C++
      2300Updated Jun 9, 2025Jun 9, 2025
    • openmm-cph

      Public
      Constant pH simulation with OpenMM
      Python
      11810Updated Mar 26, 2025Mar 26, 2025
    • openmm-torch

      Public
      OpenMM plugin to define forces with neural networks
      C++
      29220333Updated Feb 24, 2025Feb 24, 2025
    • spice-dataset

      Public
      A collection of QM data for training potential functions
      Python
      9189192Updated Feb 18, 2025Feb 18, 2025
    • nutmeg

      Public
      The Nutmeg machine learning models
      Python
      21100Updated Jan 23, 2025Jan 23, 2025
    • openmm_workshops

      Public
      Jupyter Notebook
      84450Updated Sep 5, 2024Sep 5, 2024
    • openmm-wheels

      Public
      Shell
      2531Updated Jul 11, 2024Jul 11, 2024
    • openmmexampleplugin

      Public
      An example of how to write a plugin for OpenMM
      C++
      223190Updated Jan 25, 2024Jan 25, 2024
    • spice-models

      Public
      Models trained on the SPICE dataset
      Python
      01051Updated Sep 23, 2022Sep 23, 2022
    • openmm-feedstock

      Public
      Smithy feedstock to run packaging experiments with conda & openmm. For released builds, check the feedstock on Conda Forge: https://github.com/conda-forge/openm…
      Shell
      1101Updated Aug 4, 2020Aug 4, 2020
    • openmm-tensorrt

      Public
      OpenMM plugin to define forces with a TensorRT graph
      C++
      2601Updated Apr 23, 2020Apr 23, 2020
    • openmm-tensorflow

      Public
      OpenMM plugin to define forces with neural networks
      C++
      63280Updated Jan 9, 2020Jan 9, 2020