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jonpvandermause authored Sep 15, 2024
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Expand Up @@ -16,21 +16,13 @@ FLARE is an open-source Python package for creating fast and accurate interatomi
<img src="https://github.com/mir-group/flare/blob/development/docs/images/Flare_features.jpg?raw=true">
</p>

Note:

We implement Sparse GP, all the kernels and descriptors in C++ with Python interface.

We implement Full GP, Mapped GP, RBCM, Squared Exponential kernel and 2+3-body descriptors in Python.

Please do NOT mix them.

## Documentations and Tutorials

Documentation of the code can be accessed here: https://mir-group.github.io/flare

[Applications using FLARE and gallery](https://mir-group.github.io/flare/related.html)

### Google Colab Tutorials
### Tutorials

[FLARE (ACE descriptors + sparse GP)](https://github.com/mir-group/flare/blob/notebooks/tutorials/sparse_gp_tutorial.ipynb)
This tutorial shows how to run flare with a sparse Gaussian process model trained on energy and force data, demoing "offline" training on the MD17 dataset and "online" on-the-fly training of a simple aluminum force field.
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