42 citations · 45 across the 3 of their papers we have counts for
3 papers
cs.LG2023★ 2 cited
Rethinking Explaining Graph Neural Networks via Non-parametric Subgraph Matching
Fang Wu, Siyuan Li, Xurui Jin +4
The success of graph neural networks (GNNs) provokes the question about explainability: ``Which fraction of the input graph is the most determinant of the prediction?'' Particularl…
cs.CE2022★ 42 cited
Pre-training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding
Fang Wu, Shuting Jin, Yinghui Jiang +7
The latest biological findings observe that the traditional motionless 'lock-and-key' theory is not generally applicable because the receptor and ligand are constantly moving. None…
cs.AI2022★ 1 cited
Prompt-Guided Injection of Conformation to Pre-trained Protein Model
Qiang Zhang, Zeyuan Wang, Yuqiang Han +3
Pre-trained protein models (PTPMs) represent a protein with one fixed embedding and thus are not capable for diverse tasks. For example, protein structures can shift, namely protei…