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globus-labs / faster-molecular-hessians

Reduce the amount of computation needed for Hessians using machine learning
MIT License
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Ensure that notebooks are cleared on commit #20

Closed WardLT closed 8 months ago

WardLT commented 8 months ago

Add a test to GitHub actions which ensures they are empty and nbstripout in the environment to help with that.

Does not quite address #18, but at least gives us the tools to strip stuff out