Chem. Sci., 2025, Accepted Manuscript DOI: 10.1039/D5SC02113H, Edge Article Guanlue Li, Chenran Jiang, Ziqi Gao, Yu Liu, Chenyang Liu, Jiean Chen, Yong Huang, Jia LI Effective generation of molecular structures that bind to target proteins is crucial for lead identification and optimization in drug discovery. Despite advancements in atom- and motif-wise models for 3D molecular...