4 citations · 7 across the 2 of their papers we have counts for
2 papers
cs.LG2023★ 3 cited
PolyGET: Accelerating Polymer Simulations by Accurate and Generalizable Forcefield with Equivariant Transformer
Rui Feng, Huan Tran, Aubrey Toland +4
Polymer simulation with both accuracy and efficiency is a challenging task. Machine learning (ML) forcefields have been developed to achieve both the accuracy of ab initio methods…
physics.chem-ph2023★ 4 cited
May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations
Rui Feng, Qi Zhu, Huan Tran +4
Recent works have shown the promise of learning pre-trained models for 3D molecular representation. However, existing pre-training models focus predominantly on equilibrium data an…