Update `Molecule.from_qcschema`, notebook

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

302 stars 88 forks source link

Update `Molecule.from_qcschema`, notebook #1763

Closed mattwthompson closed 5 months ago

mattwthompson commented 8 months ago

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

review-notebook-app[bot] commented 8 months ago

Check out this pull request on

See visual diffs & provide feedback on Jupyter Notebooks.

Powered by ReviewNB

codecov[bot] commented 7 months ago

Codecov Report

Merging #1763 (d0bb1f5) into main (9b23790) will increase coverage by 0.03%. Report is 8 commits behind head on main. The diff coverage is 98.07%.

Additional details and impacted files

j-wags commented 5 months ago

And so they're not lost to history - I took a few notes on this refactor here