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Band gap prediction research benchmarks · SOTA2 Research

Band gap prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

Materials Project (test)

0.204MAE (eV)

18

Feb 26, 2026

Matbench MP Gap (Fold 0)

0.089MAE (eV)

14

Mar 19, 2026

Matbench MP Gap Mean 0-4

0.091MAE (eV)

7

Mar 19, 2026

The Materials Project 2018.6.1 (test)

0.211MAE (eV)

6

Feb 26, 2026

Materials Project Dataset 2018.6.1 (test)

193MAE (meV)

4

Feb 26, 2026

Inorganic Crystal Dataset

0.29MAE (eV)

4

Feb 26, 2026

Materials Project 69K crystals (test)

CartNet w/ UNATE

188.78MAE

3

May 26, 2026

Materials Project crystals (Single split)

0.206R2 (Geometry)

2

Mar 4, 2026

Popular datasets

Materials Project Matbench MP Gap Inorganic Crystal Dataset The Materials Project Materials Project Dataset

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