124 citations · 264 across the 8 of their papers we have counts for
3 papers · 1 filter
Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design
Ilia Igashov, Hannes Stärk, Clément Vignac +5
Fragment-based drug discovery has been an effective paradigm in early-stage drug development. An open challenge in this area is designing linkers between disconnected molecular fra…
DiGress: Discrete Denoising diffusion for graph generation
Clement Vignac, Igor Krawczuk, Antoine Siraudin +3
This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model utilizes a discrete diffusion process…
Equivariant Diffusion for Molecule Generation in 3D
Emiel Hoogeboom, Victor Garcia Satorras, Clément Vignac +1
This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise…