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  1. QuinNet QuinNet Public

    (NeurIPS 2023) QuinNet: Efficiently Incorporating Quintuple Interactions into Geometric Deep Learning Force Fields

    Python 6 2

  2. ai4sci-research/ai4sci-research.github.io ai4sci-research/ai4sci-research.github.io Public

    HTML 15

  3. DEQHNet DEQHNet Public

    (NeurIPS 2024) Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models

    Python 1