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Atomization energy prediction research benchmarks · SOTA2 Research

Atomization energy prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

QM7 (10-fold cross validation)

3.07MAE

27

Mar 25, 2026

QM9 original (test)

4.3MAE (meV)

11

Feb 26, 2026

QM9 full (test)

4.3MAE

7

Feb 26, 2026

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