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 ...

Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...

Soil liquefaction—the process where saturated soil loses its structure and transforms to a fluid-like state—can have devastating outcomes, as evidenced by the Great East Japan Earthquake in 2011.

Boltz-2 is an open-source biomolecular model achieving near-FEP accuracy with 1000x faster predictions for structure and binding affinity. MIT and Recursion have released Boltz-2, the first ...

Genesis’ proprietary foundation model – Pearl – outperforms frontier models, including AlphaFold 3, on key benchmarks that predict utility in real-world drug discovery Pearl’s performance improved ...

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical ...

In 1974, Professor Richard Robson at the University of Melbourne in Australia was drilling holes into wooden balls so students could connect rods to create molecular structure models. While pondering ...