Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design

1 code implementation • 11 Oct 2022 • Ilia Igashov, Hannes Stärk, Clément Vignac, Victor Garcia Satorras, Pascal Frossard, Max Welling, Michael Bronstein, Bruno Correia

Additionally, the model automatically determines the number of atoms in the linker and its attachment points to the input fragments.

Drug Discovery valid

Equivariant Diffusion for Molecule Generation in 3D

3 code implementations • 31 Mar 2022 • Emiel Hoogeboom, Victor Garcia Satorras, Clément Vignac, Max Welling

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations.

Modurec: Recommender Systems with Feature and Time Modulation

1 code implementation • 13 Oct 2020 • Javier Maroto, Clément Vignac, Pascal Frossard

Current state of the art algorithms for recommender systems are mainly based on collaborative filtering, which exploits user ratings to discover latent factors in the data.

Collaborative Filtering Recommendation Systems

On the choice of graph neural network architectures

2 code implementations • 13 Nov 2019 • Clément Vignac, Guillermo Ortiz-Jiménez, Pascal Frossard

Seminal works on graph neural networks have primarily targeted semi-supervised node classification problems with few observed labels and high-dimensional signals.

Node Classification