README.md

---
title: Gnina Torch
emoji: 📊
colorFrom: red
colorTo: green
sdk: gradio
sdk_version: 3.3.1
app_file: app.py
pinned: false
license: mit
---

# GninaTorch @ Hugginface

Scoring protein-ligand complexes using [Gnina](https://github.com/gnina/gnina)'s scoring function via [gnina-torch](https://github.com/RMeli/gnina-torch) on [Hugging Face Spaces](https://huggingface.co/spaces/RMeli/gnina-torch).

[https://huggingface.co/spaces/RMeli/gnina-torch](https://huggingface.co/spaces/RMeli/gnina-torch)

## Notes

[Hugging Face Spaces](https://huggingface.co/docs/hub/spaces) work as `git` repositories. To keep everything on GitHub but publish on Hugging Face, add the Hugging Face Space repository as a remote repository:

```bash
git remote add hf https://huggingface.co/spaces/RMeli/gnina-torch
```
## Acknowledgements

* @duerrsimon for [Visualize proteins on Hugging Face Spaces](https://huggingface.co/blog/spaces_3dmoljs)