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MDIL-SNU / SevenNet

SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
https://pubs.acs.org/doi/10.1021/acs.jctc.4c00190
GNU General Public License v3.0
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Create a `py.typed` file #73

Closed Andrew-S-Rosen closed 2 weeks ago

Andrew-S-Rosen commented 2 months ago

As recommended in pep 0561, a blank py.typed marker should be included when type hints are used so downstream codes can type check with mypy and similar tools.

YutackPark commented 2 months ago

Thanks for this pull request. I didn't know about this. However, I think it is better to merge this request after planned refactoring, as sevennet is not fully typed and existing type hints, especially in old modules, are not reviewed. It might confuse users with wrong type annotations.

Andrew-S-Rosen commented 2 months ago

That's fair enough! Please feel free to close if you'd like. It's not a big deal either way.