---
title: SubGrapher
canonical_url: "https://www.modelscope.cn/models/ds4sd/SubGrapher"
md_url: "https://www.modelscope.cn/models/ds4sd/SubGrapher.md"
repository: ds4sd/SubGrapher
last_updated: 2025-10-27
license: mit
library_name:
  - pytorch
frameworks:
  - pytorch
downloads: 470
stars: 0
---

# SubGrapher

> SubGrapher - ds4sd 在 ModelScope 开源的模型。This is the repository for SubGrapher: Visual Fingerprinting of Chemical Structures. SubGrapher is a model to detect functional groups in molecule images and convert them into visual fingerprints.

ds4sd/SubGrapher 是 ModelScope 魔搭社区上的机器学习模型，采用 mit 许可。

- **Repository**: ds4sd/SubGrapher
- **License**: mit
- **Downloads**: 470
- **Stars**: 0
- **Last updated**: 2025-10-27

Source: https://www.modelscope.cn/models/ds4sd/SubGrapher

---

<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.