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Papers Benchmarks Datasets Tasks

ZINC dataset and benchmarks – Page 6 · SOTA2 Research

Research Datasets

ZINC

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Molecular Property Regression

ZINC

0.204MAE

2

Molecule Property Optimization

ZINC250k jak2

0Hit Ratio

1

Molecule Property Optimization

ZINC250k braf

0Hit Ratio

1

Molecule Property Optimization

ZINC250k fa7

0Hit Ratio

1

Molecule Property Optimization

ZINC250k parp1

0Hit Ratio

1

Molecule Property Optimization

ZINC 250k 5ht1b

—Primary metric

0

Graph generation

ZINC15

—Primary metric

0

Page 6 of 6

Popular tasks

Graph Regression Molecular Generation Molecule Generation Molecular Property Regression Molecule property optimization

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