Geometry-enhanced molecular representation learning for property prediction

Xiaomin Fang, Lihang Liu, Jieqiong Lei, Donglong He, Shanzhuo Zhang, Jingbo Zhou, Fan Wang, Hua Wu 0003, Haifeng Wang 0001. Geometry-enhanced molecular representation learning for property prediction. Nat. Mach. Intell., 4(2):127-134, 2022. [doi]

Abstract

Abstract is missing.