Huang, Wenbing
64 publications
NeurIPS
2024
3D Structure Prediction of Atomic Systems with Flow-Based Direct Preference Optimization
NeurIPS
2024
Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?
ICML
2024
EquiPocket: An E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction
ICLRW
2024
Equivariant Pretrained Transformer for Unified Geometric Learning on Multi-Domain 3D Molecules
ICML
2024
Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning
ICLRW
2023
Crystal Structure Prediction by Joint Equivariant Diffusion on Lattices and Fractional Coordinates