Ai For Science

Evolutionary Scale Modeling (ESM)Python

A collection of transformer protein language models for predicting structure, function, and designing proteins from sequences.

Boltz-1Python

A family of open-source deep learning models for accurate biomolecular interaction and binding affinity prediction, rivaling AlphaFold3 and physics-based methods.

DiffDockPython

A state-of-the-art diffusion model for predicting how small molecules (ligands) bind to proteins.