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license: cc-by-4.0
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This repository contains the benchmark datasets introduced in [SubGrapher: Visual Fingerprinting of Chemical Structures](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-025-01091-4).
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license: cc-by-4.0
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<img src="assets/molecule_retrieval.png" width="600" />
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This repository contains the benchmark datasets introduced in [SubGrapher: Visual Fingerprinting of Chemical Structures](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-025-01091-4).
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