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Initial Structure to Relaxed Energy (IS2RE) prediction research benchmarks · SOTA2 Research

Initial Structure to Relaxed Energy (IS2RE) prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

OC20 IS2RE (Average)

0.549Energy MAE (eV)

9

Mar 25, 2026

OC20 IS2RE (OOD-BOTH)

0.545Energy MAE (eV)

9

Mar 25, 2026

OC20 IS2RE (OOD-ADS)

0.612Energy MAE (eV)

9

Mar 25, 2026

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