University of Maryland School of Pharmacy

Sequence-based multitask model predicting covalently ligandable cysteines and reversible ligand-binding residues across the human proteome.

Per-residue pKa prediction from sequence alone, a thin MLP head on frozen ESM Cambrian embeddings that holds up better on engineered buried variants.

Per-residue pKa prediction from sequence alone, a thin MLP head on frozen ESM-2 embeddings reaching 0.48 RMSE across six titratable residue types.