ReactFlow: Pretrained Checkpoints for Transition State and Reaction Pathway Generation
ABOUT ReactFlow is a flow-matching model that generates the transition state (TS) and the surrounding reaction pathway from reactant and product structures. It uses an SO(3)-equivariant EquiformerV2 backbone (35.3M parameters) and is trained in two stages: flow-matching pretraining, followed by GRPO reinforcement-learn...