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Pinned

  1. openmm/openmm openmm/openmm Public

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

    C++ 1.4k 500

  2. lettucecfd/lettuce lettucecfd/lettuce Public

    Computational Fluid Dynamics based on PyTorch and the Lattice Boltzmann Method

    Python 167 33

  3. noegroup/bgflow noegroup/bgflow Public

    Boltzmann Generators and Normalizing Flows in PyTorch

    Jupyter Notebook 123 34

  4. noegroup/bgmol noegroup/bgmol Public

    Molecular mechanics systems and simulation data

    Python 13 4

  5. noegroup/aggforce noegroup/aggforce Public

    Mapping forces for bottom-up molecular coarse-graining

    Python 7 3