Westlake University; Zhejiang University; Deep Potential
Haitao Lin, Yufei Huang, Odin Zhang, Yunfan Liu, Lirong Wu, Siyuan Li, Zhiyuan Chen, Stan Z. Li
sturcture-based drug design; molecule generation; diffusion model
Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration