Nequip Tutorial

This is a tutorial for the NequIP framework. Run this tutorial in Google Colab through this link.

Updating the Tutorial

The notebook is heavily optimized to run in Google Colab (e.g. HTML rendering, and !pip install cells), so it is recommended to make changes directly in Colab rather than editing the .ipynb file locally. To do so:

1. Open the tutorial in Google Colab using the link above.
2. Make your changes and verify that the notebook runs end-to-end.
3. Push your changes by hitting the button "Save in GitHub to keep changes (top left corner, beside the notebook's title) and selecting the nequip-tutorial repository.