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Published 20 hours ago • verified publisher icon openforcefield

Scaffold in Validation CI

Open jaclark5 opened this issue 8 months ago • 1 comments

QCFractal scaffold is not assessed in validation CI and must be skipped

jaclark5 avatar Mar 14 '25 13:03 jaclark5

Validation should test that:

  • coordinates are in Bohr
  • specification is added
  • entries are added
  • provenance is defined
  • extras field is present with: submitter, creation_data, collection_type, long_description, long_description_url, short_description, dataset_name, elements fields.
  • dataset description and tagline defined

jaclark5 avatar Apr 10 '25 03:04 jaclark5