activity
20192023
most citedE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials

1.9k citations · 2k across the 8 of their papers we have counts for

collaborators
Showing cs.NEShow all

1 paper · 1 filter

cs.NE2023

Protein-Ligand Complex Generator & Drug Screening via Tiered Tensor Transform

Jonathan P. Mailoa, Zhaofeng Ye, Jiezhong Qiu +2

The generation of small molecule candidate (ligand) binding poses in its target protein pocket is important for computer-aided drug discovery. Typical rigid-body docking methods ig…