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 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

copy the highlighted huggingface token, paste it in the token text box below it, and press login.