molssi-seamm / molsystem

Molsystem provides a general class for handling molecular and periodic systems
GNU Lesser General Public License v3.0
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Fixed RDKit issue with valence for e.g. NH4+ #56

Closed paulsaxe closed 1 year ago

paulsaxe commented 1 year ago

Also starting on CMS schema

codecov[bot] commented 1 year ago

Codecov Report

Merging #56 (05870fa) into main (9b970d1) will increase coverage by 0.08%. The diff coverage is 47.87%.

Additional details and impacted files