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Energy and Force Prediction on C12H26 DPA2 (test)

19.5Energy RMSE (meV/atom)MatRIS-M
15.24843.94972.65101.351Mar 2, 2026

Evaluation results

MethodLinks
MatRIS-M2026.0319.5287.6
DPA3-L242026.0342.4541.6
MACE2026.0381.9802.3
NequIP2026.03121.4715.6
eqV2non-conservative force prediction=true2026.03123.1907.4
GemNet-OCnon-conservative force prediction=true2026.03125.8518.7