What's Changed
- Fix computing observables without gradients by @SimonBoothroyd in #103
- Support residue information by @SimonBoothroyd in #104
- Support custom non-bonded exceptions by @SimonBoothroyd in #105
- Generalize OpenMM converters by @SimonBoothroyd in #106
- Don't hardcode built-in attrs, and fix docs by @SimonBoothroyd in #108
- Add support for advanced OpenFF handler converters by @SimonBoothroyd in #110
- Allow converting NB potentials with no exclusions by @SimonBoothroyd in #111
- Swap to
ruff
andsetuptools-scm
by @SimonBoothroyd in #112 - Detach parameter graph before OpenMM conversion by @SimonBoothroyd in #113
Full Changelog: 0.11.0...0.12.0