Completed qm9_nmr.py with dataset and datamodule classes #2
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muhrin merged 6 commits intocamml-lab:developfrom Oct 23, 2025
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Completed qm9_nmr.py with dataset and datamodule classes #2muhrin merged 6 commits intocamml-lab:developfrom
muhrin merged 6 commits intocamml-lab:developfrom
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MattiaSpider-SIMaP
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Jun 2, 2025
MattiaSpider-SIMaP
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- with according tests
- added logic for optional atoms keys
- moved all prints on logger
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muhrin
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Sweet, looks good. Just a couple of changes would be good.
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…ng test scripts - Added logic for optional atoms keys - Moved all prints on logger - Small fixes - Restore codecov.yml and conftest.py removed by mistake - Removed redundant mask
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There's a bunch of linting failures (see the checks Below). To check these locally you do do:
And then
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muhrin
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Nice work.
Just a few changed I've highlighted.
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…not working for dowloading issue
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