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 ...

Google DeepMind is introducing an improved version of its AI model that predicts not just the structure of proteins but also the structure of “all life’s molecules.” The work from the new ...

Unlike structure-based models, which are limited to a small set of resolved protein-ligand complexes, ProtoBind-Diff leverages a larger pool of chemical and biological data, which helps the model ...