T-Rex: Text-assisted Retrosynthesis Prediction

1 code implementation • 26 Jan 2024 • Yifeng Liu, Hanwen Xu, Tangqi Fang, Haocheng Xi, Zixuan Liu, Sheng Zhang, Hoifung Poon, Sheng Wang

As a fundamental task in computational chemistry, retrosynthesis prediction aims to identify a set of reactants to synthesize a target molecule.

Re-Ranking Retrosynthesis