Foundation Model Extends MACE With Electrostatics

On Feb. 23, 2026, Batatia et al. present an electrostatic foundation model that extends the MACE architecture with polarizable iterations and global charge equilibration. Trained on OMol25's 100 million hybrid DFT calculations, it achieves chemical accuracy across benchmarks, including sub-kcal/mol X23-DMC crystal energies and fourfold better protein–ligand interaction predictions. The model handles variable charge and spin states and scales from small molecules to complexes.