Leveraging the model’s efficiency, we created a database of 8.2M synthetically generated molecules and conducted a Turing-like test with organic chemistry experts to further assess the plausibility of the generated molecules, and potential biases and limitations of #CoCoGraph

#CoCoGraph outperforms state-of-the-art approaches on standard benchmarks while requiring up to an order of magnitude fewer parameters

A collaborative constrained graph diffusion model for the generation of realistic synthetic molecules Developing new molecular compounds is crucial to address pressing challenges, from health to environmental sustainability. However, exploring the molecular space to discover new molecules is difficult...

New preprint out in the arXiv!

We introduce #CoCoGraph, a collaborative and constrained graph diffusion model capable of generating molecules that are guaranteed to be chemically valid www.arxiv.org/abs/2505.16365

We just had an amazing talk by Manuel Ruiz-Botella, who introduced us to #CoCoGraph, a graph diffusion model for the generation of realistic synthetic molecules. Only here, at #NetBioMed2025, a satellite being held at #NetSci2025! @verapancaldi.bsky.social @netsciconf.bsky.social