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license: mit
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<img src="assets/architecture.png" alt="Description of the image" width="600" />

This is the repository for [SubGrapher: Visual Fingerprinting of Chemical Structures](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-025-01091-4). SubGrapher is a model to detect functional groups in molecule images and convert them into visual fingerprints.