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---
title: README
emoji: 🚀
colorFrom: gray
colorTo: red
sdk: static
pinned: false
short_description: AI & ML for the Computational Molecular Science Community
---
<p align="center">
<a href="https://github.com/molssi-ai"><img alt="molssi-ai logo" src="https://raw.githubusercontent.com/MolSSI/molssi-branding-guidelines/main/logos/molssi_ai.png" width="500" height="600" object-fit: fill/></a>
<br>
</p>
# MolSSI AI Hub
The Molecular Sciences Software Institute (MolSSI)'s central hub for AI & ML resources in computational molecular science.
## Data Migration
We are migrating our MolSSI machine learning [datasets](https://molssi-ai.github.io/ml-datasets) to Hugging Face Hub!
## Spaces
Our Hugging Face Spaces are open to the public and free to use.
**Note**: When clicking on a Space icon, you may be redirected to the following screen
<img src="https://cdn-uploads.huggingface.co/production/uploads/6407dfcd8dca6cec91c86cfa/K2i776AX7nW6LK_aHBgcj.png" alt="huggingface token" width="500"/>
copy the highlighted **huggingface** token, paste it in the token text box below it,
and press login.
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