| license: mit | |
| <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. | |