DrugDiff - small molecule diffusion model with flexible guidance towards molecular properties
Marie Oestreich, Erinç Merdivan, Michael Lee, Joachim Ludwig Schultze, Marie Piraud, Matthias Becker
DrugDiff generates novel small molecules with desired properties using a diffusion model guided by predictors.
Journal of Cheminformatics · Feb 25, 2025Peer-reviewedBioinformatics