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  1. GAIA GAIA Public

    GAIA automates the generation of reactive MLIP datasets for atomistic simulations.

    Python 27

  2. MOLCANO MOLCANO Public

    Molcano: MOlecular Language for Chemical Assembly NOtation 

    Python 4

  3. Spectrum Spectrum Public

    By formulating the loss function as the difference between the reconstructed and reference spectra, the model enables gradients to propagate through the physics-based module.

    Python 1

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