---
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.