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Refactor data ingesting in example #95
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Codecov Report
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## main #95 +/- ##
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Coverage 77.38% 77.38%
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Files 2 2
Lines 84 84
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Hits 65 65
Misses 19 19 Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here. |
I don't know about the thread safety...you'd probably know the better way to test/assess that than I would tbh... |
should help #89 since there were some incorrectly defined paths as well. CI failure seems unrelated, hopefully that doesn't block this PR. We can commit the formatting changes and this should be good. The nice addition would be having a |
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If this is fine by you and useful for testing you're doing, go ahead and merge (and feel free to bump the patch as well if that's easier). As I crank through the updates to ChemistryFeaturization, I'll be making some other changes (e.g. moving the featurization definition into this package) that will probably motivate a minor version bump, but those are mostly orthogonal to what you're doing here I think. |
I wanted to reuse some of the examples to scale up training of any property, so that requires some refactoring to clean up data loading etc to not repeat work unless needed.
Quick q: do we know if the cif file reading is thread safe?