Very excited to share this new collaboration! A diffusion model for molecule generation in 3D. We also explore conditional generation in QM9 and evaluate on the larger GEOM-Drugs dataset.
Molecule Generation in 3D with Equivariant Diffusion (arxiv.org/abs/2203.17003). Very happy to share this project (the last of my PhD woohoo 🥳) and a super nice collab with @vgsatorras @ClementVignac (equal contrib shared among three of us) and of course @wellingmaxView quoted post on X