Enzyme catalysis underpins life itself, driving the chemical reactions essential for biological function and numerous industrial applications. 

We introduce EnzymeCAGE, a catalysis-specific geometric foundation model trained on nearly one million structure-informed enzyme–reaction pairs across more than 2,000 species, capturing rich genomic and metabolic diversity. EnzymeCAGE integrates a geometry-aware multimodal architecture with an evolutionary information module, enabling precise modeling of the intricate links between enzyme structure, catalytic function, and reaction specificity.

Congratulations to Yong Liu, a first-year PhD student in our lab!