Mila - Quebec AI Institute, Universite de Montreal, Canada; Mila - Quebec AI Institute, HEC Montreal, Canada, CIFAR AI Research Chair
Yangtian Zhang, Huiyu Cai, Chence Shi, Jian Tang
protein-ligand docking;end-to-end training;iterative refinement framework;geometric deep learning
E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking