2026
CoarseBind: Fast and Accurate Binding Affinity Prediction through Coarse Structural Representations
Matteo Rossi, Ryan Pederson, Miles Wang-Henderson, Benjamin Kaufman, Edward Williams, Carl Underkoffler +5
ICML 2026poster
We present CoarseBind, a foundation model for protein-ligand structure and binding affinity prediction that achieves 26$\times$ faster inference than state-of-the-art methods while improving affinity prediction accuracy by up to 20\%. Current deep learning approaches to structure-based drug design r…