Every medication in your cabinet, every material in your phone's battery, and virtually every compound that makes modern life ...

Michael Skinnider and his team have developed DeepMet, a large language model–guided program that can assign a structure to ...

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 ...

Posts from this topic will be added to your daily email digest and your homepage feed. AlphaFold 3 uses the same method as AI image generators to predict how different molecules fit together.

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 present a new generative AI model that can simultaneously design catalyst structures and predict their performance under specific reaction conditions. CatDRX is a generative AI framework ...

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 ...

For more than 100 years, scientists have been using X-ray crystallography to determine the structure of crystalline materials such as metals, rocks, and ceramics. This technique works best when the ...

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 ...