Machine Learning, Artificial Intelligence, Geometric Deep Learning, Drug Discovery, Editors Pick.
Graph Transformer. DiGress works for many graph families — planar, SBMs, and molecules, code is available, and check the video from the LoGaG reading group presentation! DiGress diffusion process. Source: Vignac, Krawczuk, et al. GeoDiff and Torsional Diffusion: Molecular Conformer Generation