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[BUG] Update hydration free energy tutorial with new 2D mapping view
bug
Something isn't working
#350
opened Oct 1, 2024 by
lohedges
[BUG] Use direct to/from RDKit conversion when parameterising with OpenFF
bug
Something isn't working
#348
opened Oct 1, 2024 by
lohedges
[BUG] Merge code no longer setting a unique connectivty property when connectivity changes
bug
Something isn't working
#344
opened Sep 27, 2024 by
lohedges
[BUG] BSS.Convert.toRDKit() appears to lose stereochemical information
bug
Something isn't working
#330
opened Aug 16, 2024 by
noahharrison64
Support for openff-bespokefit
enhancement
New feature or request
#262
opened Mar 13, 2024 by
jmichel80
[BUG] Protein parametrization fails if detects a disulfide bridge between reduced cysteine residues (CYS and not CYX)
bug
Something isn't working
#142
opened Jul 20, 2023 by
cespos
Matching atoms and merging ring systems (fused rings, different hybridisation states) - issues
enhancement
New feature or request
#103
opened Jun 15, 2023 by
annamherz
ProTip!
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