11 citations · 11 across the 2 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2021★ 11 cited
Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction
Hangrui Bi, Hengyi Wang, Chence Shi +3
Reliably predicting the products of chemical reactions presents a fundamental challenge in synthetic chemistry. Existing machine learning approaches typically produce a reaction pr…
physics.chem-ph2020
Non-autoregressive electron flow generation for reaction prediction
Hangrui Bi, Hengyi Wang, Chence Shi +1
Reaction prediction is a fundamental problem in computational chemistry. Existing approaches typically generate a chemical reaction by sampling tokens or graph edits sequentially,…