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Lin-Group-at-UMass

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  1. FBGNN-MBE FBGNN-MBE Public

    Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces

    Python 2 1

  2. Seq2Seq-IR Seq2Seq-IR Public template

    Sequence-to-Sequence Translation from Infrared Spectra to Molecular Structures

    Python 2

  3. ML-wPBE ML-wPBE Public

    Jupyter Notebook 1

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