DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding

no code implementations • 21 Nov 2022 • Haitao Lin, Yufei Huang, Meng Liu, Xuanjing Li, Shuiwang Ji, Stan Z. Li

Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one by one.

Drug Discovery