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

To build a self-supervised magnetic resonance imaging (MRI) foundation model from routine clinical scans and to test whether it can support key glioma-related applications, including post-therapy ...

Google DeepMind has unexpectedly released the source code and model weights of AlphaFold 3 for academic use, marking a significant advance that could accelerate scientific discovery and drug ...

Researchers at The University of Manchester have created a physics‑informed machine‑learning model that can run molecular simulations for unprecedented lengths of time, even at temperatures as high as ...

Researchers from BIFOLD and Google DeepMind have developed MD-ET, a transformer-based molecular dynamics model that achieves state-of-the-art results without encoding traditional physical constraints ...

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 ...

A molecular model shows two macrocycles interlocked like links in a chain, with additional atoms attached on the side of one ring. This conceptual version of the catenane made by Michael Kathan and ...