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  1. TorchSim/torch-sim TorchSim/torch-sim Public

    Torch-native, batchable, atomistic simulations.

    Python 445 91

  2. a2c_ase a2c_ase Public

    An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.

    Python 18 1

  3. M3RG-IITD/Force-field-optimization M3RG-IITD/Force-field-optimization Public

    Jupyter Notebook 15 1

  4. jax-md/jax-md jax-md/jax-md Public

    Differentiable, Hardware Accelerated, Molecular Dynamics

    Jupyter Notebook 1.4k 237

  5. aoti_mlip aoti_mlip Public

    Python 6