Bridging the gap between chemical reaction pretraining and conditional molecule generation with a unified model

Bo Qiang, Yiran Zhou, Yuheng Ding, Ningfeng Liu, Song Song, Liangren Zhang, Bo Huang, Zhenming Liu. Bridging the gap between chemical reaction pretraining and conditional molecule generation with a unified model. Nat. Mach. Intell., 5(12):1476-1485, December 2023. [doi]

Abstract

Abstract is missing.