3 citations · 3 across the 1 of their papers we have counts for
3 papers
q-bio.BM2024
WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction
Fanmeng Wang, Minjie Cheng, Hongteng Xu
Predicting molecular ground-state conformation (i.e., energy-minimized conformation) is crucial for many chemical applications such as molecular docking and property prediction. Cl…
cs.LG2024★ 3 cited
MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction
Fanmeng Wang, Wentao Guo, Minjie Cheng +3
Polymers are high-molecular-weight compounds constructed by the covalent bonding of numerous identical or similar monomers so that their 3D structures are complex yet exhibit unign…
cs.LG2023
A Quasi-Wasserstein Loss for Learning Graph Neural Networks
Minjie Cheng, Hongteng Xu
When learning graph neural networks (GNNs) in node-level prediction tasks, most existing loss functions are applied for each node independently, even if node embeddings and their l…