Web: http://arxiv.org/abs/2208.05863

Aug. 16, 2022, 1:11 a.m. | Lihang Liu, Donglong He, Xiaomin Fang, Shanzhuo Zhang, Fan Wang, Jingzhou He, Hua Wu

cs.LG updates on arXiv.org arxiv.org

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 …

arxiv generation lg modeling network prediction

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