no code implementations • 10 Apr 2024 • Ningfeng Liu, Jie Yu, Siyu Xiu, Xinfang Zhao, Siyu Lin, Bo Qiang, Ruqiu Zheng, Hongwei Jin, Liangren Zhang, Zhenming Liu
Molecular generation, an essential method for identifying new drug structures, has been supported by advancements in machine learning and computational technology.
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.