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Pull requests: openforcefield/openff-toolkit
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Switch version handling to
versioningit
#1968
opened Nov 26, 2024 by
mattwthompson
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1 of 5 tasks
Bump codecov/codecov-action from 4 to 5
external dependencies
#1966
opened Nov 14, 2024 by
dependabot
bot
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Always
getattr() in lazy import machinery
#1963
opened Nov 12, 2024 by
Yoshanuikabundi
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1 of 2 tasks
Enumerate input molecule with stereoisomers
#1781
opened Nov 28, 2023 by
mattwthompson
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5 of 6 tasks
Enumerate input molecule with tautomers
#1780
opened Nov 28, 2023 by
mattwthompson
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5 tasks done
Do not allow
unique_molecules=None when required
#1742
opened Oct 13, 2023 by
mattwthompson
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7 tasks done
[WIP] Add a warning to Topology.from_pdb if the stereo of the molecule in the PDB is different from the substructure template or unique mol
#1583
opened Apr 17, 2023 by
j-wags
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5 tasks
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