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jonpvandermause authored Sep 15, 2024
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### Google Colab Tutorials

[FLARE (ACE descriptors + sparse GP)](https://colab.research.google.com/drive/1QcHf5FVU_juZOvQ49FliJVzhon8MJ6PO)
The tutorial shows how to run flare with ACE and SGP on energy and force data, demoing "offline" training on the MD17 dataset and "online" on-the-fly training of a simple aluminum force field.
[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.

[FLARE (LAMMPS active learning)](https://bit.ly/flarelmpotf)
This tutorial demonstrates new functionality for running active learning all within LAMMPS, with LAMMPS running the dynamics to allow arbitrarily complex molecular dynamics workflows while maintaining a simple interface. This also demonstrates how to use the C++ API directly from Python through `pybind11`. Finally, there's a simple demonstration of phonon calculations with FLARE using `phonopy`.
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