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metatensor / featomic

Computing representations for atomistic machine learning
http://metatensor.github.io/featomic/
BSD 3-Clause "New" or "Revised" License
44 stars 13 forks source link

Implement convenience calculator `EquivariantPowerSpectrum` #329

Open jwa7 opened 1 month ago

jwa7 commented 1 month ago

📚 Documentation preview 📚: https://rascaline--329.org.readthedocs.build/en/329/

github-actions[bot] commented 1 month ago

Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping wheels.zip and using pip to install the file matching your system

Luthaf commented 1 month ago

The CI failure should also be fixed by #331, so you should rebase this branch!