Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation with a Unified Model

1 code implementation • 13 Mar 2023 • Bo Qiang, Yiran Zhou, Yuheng Ding, Ningfeng Liu, Song Song, Liangren Zhang, Bo Huang, Zhenming Liu

Chemical reactions are the fundamental building blocks of drug design and organic chemistry research.

Drug Design Representation Learning