Matt Thompson

FWIW I'm more than open to refactoring the Interchange code to use `openmm.OutOfPlaneSite` and friends

@j-wags and I worked on this for a while, looking side-by-side-by-side at the OpenMM implementation and the 0.10.6 version of this notebook. We have verified that every parameter has only...

Let me just say again I despise GitHub's new rules for "dismissing" "stale" reviews. I understand that reviews from prior commits don't necessarily apply to future states, but the language...

Everything is passing except for one conda-related failure that I expect to be spurious. Merging!

The functionality exists now - any molecule's partial charges [can be converted](https://open-forcefield-toolkit.readthedocs.io/en/0.10.2/api/generated/openff.toolkit.typing.engines.smirnoff.parameters.LibraryChargeHandler.html#openff.toolkit.typing.engines.smirnoff.parameters.LibraryChargeHandler.LibraryChargeType.from_molecule) into a hyper-specific `LibraryChargeType` - but going back and doing the SMARTS matches is slow (#971), prohibitively slow...

Could you share the output of `conda list`? P.S. nice avatar

Some InChi roundtrips are showing different behavior; I don't know if that's good or bad. I've added a milestone for 0.11.1 because this is **not a requirement** for the 0.11.0...

Humor shows up in unexpected places: ``` =================================== FAILURES =================================== _ examples/check_dataset_parameter_coverage/check_parameter_coverage.ipynb::Cell 2 _ Notebook cell execution failed Cell 2: Cell execution caused an exception Input: molecules = Molecule.from_file("example_molecules.smi", allow_undefined_stereo=True)...

not sure this issue should become our master list of things we wish to change in tests, but in #281 I noticed some (existing) tests in `test_molecule.py` are basically copies...

Probably not worth the trouble on CI unless GitHub Actions and Travis are nice enough to give us multi-core VMs, but as the test suite slowly grows there is `pytest-parallel`...