GEM-2: Next Generation Molecular Property Prediction Network with Many-body and Full-range Interaction Modeling. (arXiv:2208.05863v2 [cs.LG] UPDATED)

Molecular property prediction is a fundamental task in the drug and material
industries. Physically, the properties of a molecule are determined by its own
electronic structure, which can be exactly described by the Schr\"odinger
equation. However, solving the Schr\"odinger equation for most molecules is
extremely challenging due to long-range interactions in the behavior of a
quantum many-body system. While deep learning methods have proven to be
effective in molecular property prediction, we design a novel method, namely
GEM-2, which comprehensively …

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