Machine Learning, Artificial Intelligence, Geometric Deep Learning, Drug Discovery, Editors Pick.
Source: Jing, Corso, et al. DiffDock: Diffusion for Molecular Docking Gabriele Corso, Hannes Stärk, Bowen Jing, Regina Barzilay, Tommi Jaakkola. DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking. GitHub DiffDock is the score-based generative model for molecular docking, eg, given a