https://github.com/rmeli/gninatorch-hf

🤗 Hugging Face space for gnina-torch 🔥
https://github.com/rmeli/gninatorch-hf

3dmol binding-affinity deep-learning gnina huggingface

Last synced: 29 days ago
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🤗 Hugging Face space for gnina-torch 🔥

• Host: GitHub
• URL: https://github.com/rmeli/gninatorch-hf
• Owner: RMeli
• License: mit
• Created: 2022-09-19T20:41:21.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2022-09-22T14:04:56.000Z (over 2 years ago)
• Last Synced: 2024-10-16T11:58:46.594Z (3 months ago)
• Topics: 3dmol, binding-affinity, deep-learning, gnina, huggingface
• Language: Python
• Homepage:
• Size: 97.7 KB
• Stars: 1
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

Awesome Lists containing this project

README

        
---

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)