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Papers Benchmarks Datasets Tasks

Molecular Regression research benchmarks · SOTA2 Research

Molecular Regression

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

0.082MAE

20

May 4, 2026

ALCHEMY 10K (test)

0.111MAE

12

Feb 26, 2026

0.104MAE

9

Jun 24, 2026

1.069MAE

9

Jun 24, 2026

ALCHEMY Full (test)

0.08MAE

8

Feb 26, 2026

0.033MAE

7

May 4, 2026

OGB-MOLLIPO (scaffold)

1.033RMSE

5

May 4, 2026

OGB-MOLFREESOLV scaffold split

2.161RMSE

5

May 4, 2026

OGB-MOLESOL (scaffold)

1.405RMSE

5

May 4, 2026

ALCHEMY 50K (test)

0.085MAE

4

Feb 26, 2026

ZINC 50k (test)

0.1MAE

4

Feb 26, 2026

22.02MAE

3

Apr 24, 2026

Popular datasets

ZINC ALCHEMY QM9 AqSol OGB-molfreesolv

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