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Papers Benchmarks Datasets Tasks

Equilibrium State Prediction research benchmarks · SOTA2 Research

Equilibrium State Prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

Molecule3D Scaffold Split (test)

0.341D-MAE

8

Feb 26, 2026

Molecule3D Scaffold Split (val)

0.335D-MAE

8

Feb 26, 2026

Molecule3D Random Split (test)

0.376D-MAE

8

Feb 26, 2026

Molecule3D Random Split (val)

0.374D-MAE

8

Feb 26, 2026

0.092D-MAE

7

Feb 26, 2026

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