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@openmm

OpenMM

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

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  1. openmm Public

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

    C++ 1.6k 557

  2. pdbfixer Public

    PDBFixer fixes problems in PDB files

    Python 555 123

  3. openmmforcefields Public

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

    Rich Text Format 310 85

  4. openmm-torch Public

    OpenMM plugin to define forces with neural networks

    C++ 200 29

  5. openmm-tensorflow Public

    OpenMM plugin to define forces with neural networks

    C++ 33 7

  6. openmm-plumed Public

    OpenMM plugin to interface with PLUMED

    C++ 67 25

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