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  1. openmm-nonbonded-slicing openmm-nonbonded-slicing Public

    An OpenMM plugin for slicing nonbonded interactions based on particle classification

    C++ 13 3

  2. ufedmm ufedmm Public

    Unified Free Energy Dynamics (UFED) simulations with OpenMM

    Python 35 10

  3. openxps openxps Public

    Extended Phase-Space Simulations with OpenMM

    Python 4

  4. cosmolayer cosmolayer Public

    Differentiable COSMO-Type Activity Coefficient Layer

    Python