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api breaking
api breaking
api extension
api extension
Close when Interchange backend is used
Close when Interchange backend is used
code cleanup
code cleanup
documentation
documentation
duplicate
duplicate
effort:medium
effort:medium
error handling
error handling
external dependencies
external dependencies
feedback needed
feedback needed
More information needed to triage
good first issue
good first issue
help wanted
help wanted
interoperability
interoperability
invalid
invalid
optimization
optimization
pdb reading
pdb reading
priority:high
priority:high
priority:low
priority:low
priority:medium
priority:medium
protein-performance
protein-performance
Possibly related to speed of loading or parametrizing proteins
proton-transfer
proton-transfer
A proton moved enough during a QM calculation to disrupt the cheminformatics representation
refactoring
refactoring
regression
regression
Regression in capabilities