0.0.2

Pre-release

Pre-release

SimonBoothroyd released this 21 Dec 16:53

· 52 commits to main since this release

0.0.2 (2021-12-21)

Implemented enhancements:

Add initial protomer enumeration support #30 (SimonBoothroyd)
Expose option to include all resonance transfer pathways #29 (SimonBoothroyd)
Add normalize_molecule utility #28 (SimonBoothroyd)
Replace enumerate resonance arg with callable #27 (SimonBoothroyd)
Significantly optimize resonance enumeration #26 (SimonBoothroyd)

Assets 2