124 citations · 264 across the 8 of their papers we have counts for
10 papers
Generative Modelling of Structurally Constrained Graphs
Manuel Madeira, Clement Vignac, Dorina Thanou +1
Graph diffusion models have emerged as state-of-the-art techniques in graph generation; yet, integrating domain knowledge into these models remains challenging. Domain knowledge is…
Sparse Training of Discrete Diffusion Models for Graph Generation
Yiming Qin, Clement Vignac, Pascal Frossard
Generative graph models struggle to scale due to the need to predict the existence or type of edges between all node pairs. To address the resulting quadratic complexity, existing…
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
Clement Vignac, Nagham Osman, Laura Toni +1
This work introduces MiDi, a novel diffusion model for jointly generating molecular graphs and their corresponding 3D arrangement of atoms. Unlike existing methods that rely on pre…
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…