Machine learning has transformed many fields and has recently found applications in chemistry and materials science. The small datasets commonly found in chemistry sparked the development of ...

The alternative text for this image may have been generated using AI. This Perspective aims to address how LLMs can transform the practice of reticular chemistry and, more specifically, how they can ...

Language models are now also being used in the natural sciences. In chemistry, they are employed, for instance, to predict new biologically active compounds. Chemical language models (CLMs) must be ...

The 2024 Nobel Prize in Chemistry is for computational protein design and structure prediction. David Baker, Demis Hassabis and John M. Jumper took home the prize for their work using artificial ...

A collaborative effort between Meta, Lawrence Berkeley National Laboratory and Los Alamos National Laboratory leverages Los Alamos' expertise in building tools for molecular screening capabilities.