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SAFE dataset and benchmarks · SOTA2 Research

Research Datasets

SAFE

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

De novo small molecule generation

SAFE (test)

99.9Validity

22

Drug-like small molecule design

SAFE ZINC and Unichem (test)

99.733Validity

7

Popular tasks

De novo small molecule generation Drug-like small molecule design

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