52 citations · 52 across the 3 of their papers we have counts for
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cs.LG2023
Learning Universal and Robust 3D Molecular Representations with Graph Convolutional Networks
Shuo Zhang, Yang Liu, Li Xie +1
To learn accurate representations of molecules, it is essential to consider both chemical and geometric features. To encode geometric information, many descriptors have been propos…
cs.LG2020★ 52 cited
Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures
Shuo Zhang, Yang Liu, Lei Xie
The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networ…