This three-part webinar series explores how cutting-edge AI, including foundation models, is being applied to drug discovery.

Tile assembly models form a robust theoretical framework for understanding how simple components, such as molecular tiles, can organise themselves into complex structures. At the core of these models ...

Using computer modeling to understand the social complexities of food waste and to test potential interventions that could be ...

Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

When engineers design things, they use models to predict how the things will work in the natural world. But all models have limitations. MTStock Studio/E+ via Getty Images Nicknamed “Galloping Gertie” ...

Neurodegenerative diseases—such as Alzheimer’s, Parkinson’s, Huntington’s, and ALS—are progressive disorders characterized by the loss of structure and ...

“C. diff is an opportunist. It can lie in wait in the gut, living benignly, ready to cause disease when conditions allow. If we remove the opportunity, we neutralize the threat,” explained Sean ...

Reiher was referring to work published earlier this year by Meta, the owner of Facebook and Instagram. Meta released its open molecule dataset or OMol25 – the largest ever dataset of quantum chemistry ...

Yet, here comes another model family worth consideration: Meituan, a Chinese food delivery and e-commerce app, attracted the ...