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Scientific Computing Department, Science and Technology Facilities Council鈥揇aresbury Laboratory, Warrington, UK
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Multihead replay not only preserves out-of-distribution robustness but also consistently outperforms models trained from scratch across diverse chemical tasks.
Forget generic MLIPs: MACE-POLAR-1 nails long-range electrostatics, slashing errors in protein-ligand binding and crystal energies.
