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. 2025 Dec 10;125(24):11878–12029. doi: 10.1021/acs.chemrev.5c00617

21. State-of-the-Art uMLIP Architectures and DFT Datasets.

Architecture Organization Dataset # of structures
M3GNet UC San Diego MPtri 1.58M
CHGNet UC Berkeley
MACE University of Cambridge Alex(sAlex) 30.50M (10.45M)
Orb , Orbital Materials
MatterSim Microsoft Research AI for Science OMat24 100.82M
GRACE ICAMS, RUB
SevenNet Seoul National University MatPES-PBE 40M
DPA3 AI for Science Institute, Beijing
eqV2 FairChem at Meta MatPES-r2SCAN 40M
eSEN FairChem at Meta