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| return cached_path.as_posix() | ||
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| if doi: | ||
| zenodo_id = re.findall("10.5072/zenodo.([0-9]+)", doi)[0] |
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Will we support non-Zenodo DOIs? Figshare etc?
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Not in this version of the NAGLCharges spec, but other sources could be added in a higher NAGLCharges section version.
mattwthompson
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mattwthompson
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I have a handful of suggestions for minor improvements but I don't identify any as blocking
| def test_get_model_by_doi_and_hash(hide_cache): | ||
| get_model( | ||
| "my_favorite_model.pt", | ||
| doi="10.5072/zenodo.278300", |
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This record must be sand-box only? This is my first Google result, which seems unlikely to be what you actually want to point to: https://zenodo.org/records/14335473
A comment or note about where this lives and how the hash was generated would be useful for future developers, I don't think anything else would be necessary here
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Why in the world did I put this in the hidden icebox? Re-assigning to myself 🤦 |
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Hmm, the tests may be hitting rate limits occasionally, but I'm gonna merge this and fix that separately if needed |
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I have no complaints if we end up rolling this back for the 2.3.0 release |
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Companion to openforcefield/openff-toolkit#2048 and openforcefield/openff-interchange#1206 for preliminary
<NAGLCharges>spec support