Electron flow matching for generative reaction mechanism prediction obeying conservation laws. - Joonyoung F. Joung; Mun Hong Fong; Nicholas Casetti; Jordan P. Liles; Ne S. Dassanayake; Connor W. Coley (CoRR, 2025)

Anticipating the Selectivity of Cyclization Reaction Pathways with Neural Network Potentials. - Nicholas Casetti; Dylan Anstine; Olexandr Isayev; Connor W. Coley (CoRR, 2025)