CoCoGraph uses a diffusion model, a technique common in image generation, to generate realistic molecules for therapeutics and sustainability.

Finding and developing new molecules is one of the great research endeavors of modern chemistry. From the development of new ...

Researchers at Universitat Rovira i Virgili have developed CoCoGraph, an AI tool that can generate millions of new, chemically valid molecules. Using a diffusion model adapted for molecular structures ...

In the search for new drugs, artificial intelligence in the form of diffusion models is being used in drug design. What ...

Researchers at Universitat Rovira i Virgili have developed CoCoGraph, an AI model that can generate millions of new molecules guaranteed to comply with chemical rules. Using a diffusion model adapted ...

The study, published in Communications Chemistry, explores the first AI‑powered model that can keep molecular simulations running safely and smoothly, even when molecules are pushed to extreme ...

Gero, a biotechnology company developing novel therapeutics for aging and chronic diseases, has released ProtoBind-Diff, a novel masked diffusion language model that generates drug-like molecules for ...

Researchers have experimentally recreated another fundamental theoretical model from quantum physics, which goes back to the Nobel Prize laureate Werner Heisenberg. The basis for the successful ...

Water molecules at the air-water interface alternate in tilt and in a previously overlooked twist angle across the first four ...