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  1. JAT_potential JAT_potential Public

    Master thesis: JAT (Jraph Attention Networks), a deep learning architecture to predict the potential energy and forces of molecules. Adapts Graph Attention Networks (GATv2) within the Message Passi…

    Python 2

  2. KachmanLab/Chemical_Language_Model_Explainer KachmanLab/Chemical_Language_Model_Explainer Public

    Python 1