ByteDance Research; Halıcıoğlu Data Science Institute, University of California San Diego; ByteDance Research; School of Artificial Intelligence, University of Chinese Academy of Sciences; Center for Research on Intelligent Perception and Computing (CRIPAC), State Key Laboratory of Multimodal Artificial Intelligence Systems (MAIS), Institute of Automation, Chinese Academy of Sciences (CASIA)
Xiangxin Zhou, Xiwei Cheng, Yuwei Yang, Yu Bao, Liang Wang, Quanquan Gu
Structure-based drug design;molecule optimization;diffusion models;3D molecule generation
DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization