Labels
Labels
40 labels
api breaking
api extension
bug
Close when Interchange backend is used
code cleanup
dependencies
documentation
duplicate
effort:high
effort:low
effort:medium
enhancement
error handling
examples
external dependencies
feedback needed
github_actions
good first issue
help wanted
interoperability
invalid
optimization
pdb reading
polymer-performance
priority:high
priority:low
priority:medium
proton-transfer
A proton moved enough during a QM calculation to disrupt the cheminformatics representationquestion
refactoring