1 code implementation • 23 May 2023 • Zhanwen Zhou, Hankz Hankui Zhuo, Xiaowu Zhang, Qiyuan Deng
The resulting environment is challenging, easy to use, customize and add additional scenarios, and it is available under a permissive open-source license.
1 code implementation • 11 Dec 2021 • Siqi Hong, Hankz Hankui Zhuo, Kebing Jin, Guang Shao, Zhanwen Zhou
In retrosynthetic planning, the huge number of possible routes to synthesize a complex molecule using simple building blocks leads to a combinatorial explosion of possibilities.
Ranked #3 on Multi-step retrosynthesis on USPTO-190