6 citations · 6 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2023
3D Molecular Geometry Analysis with 2D Graphs
Zhao Xu, Yaochen Xie, Youzhi Luo +7
Ground-state 3D geometries of molecules are essential for many molecular analysis tasks. Modern quantum mechanical methods can compute accurate 3D geometries but are computationall…
cs.LG2021★ 6 cited
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs
Zhao Xu, Youzhi Luo, Xuan Zhang +7
Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies…
cs.LG2021
Group Contrastive Self-Supervised Learning on Graphs
Xinyi Xu, Cheng Deng, Yaochen Xie +1
We study self-supervised learning on graphs using contrastive methods. A general scheme of prior methods is to optimize two-view representations of input graphs. In many studies, a…