Enumerate input molecule with tautomers

openforcefield / openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

http://openforcefield.org

MIT License

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Enumerate input molecule with tautomers #1780

Open mattwthompson opened 7 months ago

mattwthompson commented 7 months ago

Suggestion #2 in https://github.com/openforcefield/openff-toolkit/issues/1464#issuecomment-1328660311

[x] Tag issue being addressed
[x] Add tests
[x] Update docstrings/documentation, if applicable
[x] Lint codebase
[x] Update changelog

codecov[bot] commented 7 months ago

Codecov Report

Merging #1780 (e933385) into main (779565b) will decrease coverage by 0.02%. The diff coverage is 100.00%.

Additional details and impacted files