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mir-group / flare

An open-source Python package for creating fast and accurate interatomic potentials.
https://mir-group.github.io/flare
MIT License
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Coogle colab tutorial is missing #371

Open m-a-saleh opened 1 year ago

m-a-saleh commented 1 year ago

Describe the bug A clear and concise description of what the bug is:

The link to the following Google colab tutorial is broken: FLARE (ACE descriptors + sparse GP) Python API

Unfortunately, this is the only tutorial for which a video walkthrough is available here. The link under the video is also broken.

cjowen1 commented 1 year ago

Hello,

All new development takes advantage of the yaml format for input scripts, which is covered in our more recent tutorial (https://colab.research.google.com/drive/1rZ-p3kN5CJbPJgD8HuQHSc7ecmwZYse6), and has similar functionality for training models using offline learning and building training sets with active learning.

Best, Cameron

m-a-saleh commented 1 year ago

Thanks.

Currently, I use Python API to generate parity plots and learning curves as described here: https://colab.research.google.com/drive/1VzbIPmx1z-uygKstOYTj2Nqr53AMC5NL#scrollTo=MV7Z1AUKHRcF

How can I achieve the same with yaml