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TOMG-Bench dataset and benchmarks · SOTA2 Research

Research Datasets

TOMG-Bench

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Molecular Optimization (QED)

TOMG-Bench

76.5Success Rate (SR)

39

Molecular Optimization (MR)

TOMG-Bench

99.8Success Rate (SR)

39

Molecular Optimization (LogP)

TOMG-Bench

96.8Success Rate (SR)

39

Property optimization

TOMG-Bench

0.236QED

7

Structure-based optimization

TOMG-Bench

0.5Add Component Rate

7

Molecule Optimization

TOMG-Bench MOLOPT (test)

19.77LogP SR × Sim

6

Autonomous LLM Fine-tuning

TOMG-Bench

68.1Validation Score

4

Popular tasks

Property optimization Molecule Optimization Structure-based optimization Molecular Optimization (LogP)Molecular Optimization (MR)

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