GrayLab

Protein-protein docking model adapting AlphaFold-Multimer with a docking module and flow-matching training to assemble subunits without MSAs.

Residue-level carbohydrate binding-site identification on protein structures, using equivariant graph convolutions over ESM2 per-residue embeddings.

Whole-protein carbohydrate-binding classification from structure, for proteome-scale screening with graph convolutions over ESM2 embeddings.

Generative language model trained on 558 million antibody sequences for infilling-based design of CDR loops and full-length immunoglobulin sequences.

Structure-conditioned graph transformer trained with masked language modeling to learn residue encodings for inverse folding and antibody design.