OpenFF QCSubmit documentation

ResultRecordGroupFilter

pydantic model openff.qcsubmit.results.filters.ResultRecordGroupFilter

The base class for filters which reduces repeated molecule entries down to a single entry.

Notes

• This filter will only be applied to basic and optimization datasets. Torsion drive datasets / entries will be skipped.

Show JSON schema

{
   "title": "ResultRecordGroupFilter",
   "description": "The base class for filters which reduces repeated molecule entries down to a single\nentry.\n\nNotes:\n    * This filter will only be applied to basic and optimization datasets.\n      Torsion drive datasets / entries will be skipped.",
   "type": "object",
   "properties": {}
}