Learning consistent molecular mechanics force fields from first principles
physics.chem-ph, cs.LG, physics.comp-ph
Submitted: 2026-10-06
Updated: 2026-10-06
Sources
- MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
- SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
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