Arxiv：[2203.17003] Equivariant Diffusion for Molecule Generation in 3D (arxiv.org)
Author：Emiel Hoogeboom, Victor Garcia Satorras, Clément Vignac, Max Welling
conference： ICML22 subject：3D molecular generation method：E(3) Equivariant Diffusion Model (EDM) that operates on atom coordinates and categorical features, evaluation：log-likelihood and molecule stability
EDM 学习对连续坐标和原子类别都起作用的逆扩散过程，该方法不需要特定的原子顺序