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Papers Benchmarks Datasets Tasks

Molecule Optimization research benchmarks · SOTA2 Research

Molecule Optimization

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

REINVENT SELFIES

39.9Med1 Score

8

Feb 26, 2026

GuacaMol (test)

4.903Total Score Sum

8

Feb 26, 2026

0.756Final HV

7

Jun 2, 2026

TOMG-Bench MOLOPT (test)

19.77LogP SR × Sim

6

Jul 2, 2026

0.904Final HV

6

Jun 2, 2026

0.58Final HV

6

Jun 2, 2026

Popular datasets

GuacaMol FreeSolv ESOL Lipophilicity TOMG-Bench

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