Can we design generative #AI models capable of creating new molecules, much in the same way that other generative models generate text or images? In a new paper in
@natmachintell.nature.com, we introduce #CoCoGraph, which does just that
Online: dx.doi.org/10.1038/s422...
PDF: rdcu.be/fgNIA
The collaborative constrained graph diffusion model CoCoGraph generates novel molecules that are guaranteed to be valid and more realistic than state-of-the-art outputs, while achieving faster performance with up to an order of magnitude fewer parameters.
