Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of predicting ...

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...

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.

SwRI’s new GAMES model turns molecular text into smarter drug candidates, offering a faster and more accurate path to breakthrough therapies. SwRI developed a large language model called Generative ...

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 ...