papers
Publications (3)
physics.chem-ph2023
May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations
Rui Feng, Qi Zhu, Huan Tran +4
cs.LG2023
PolyGET: Accelerating Polymer Simulations by Accurate and Generalizable Forcefield with Equivariant Transformer
Rui Feng, Huan Tran, Aubrey Toland +4
cond-mat.mtrl-sci2023
Polymer informatics at-scale with multitask graph neural networks
Rishi Gurnani, Christopher Kuenneth, Aubrey Toland +1