Issues: OpenBioSim/biosimspace
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Option to write parameterisation intermediary file in SDF format to retain bond information
#284
opened May 1, 2024 by
noahharrison64
Support for openff-bespokefit
enhancement
New feature or request
#262
opened Mar 13, 2024 by
jmichel80
alchemlyb dependency pulling in invalid Jaxlib version on Python 3.9 and 3.10
#207
opened Nov 14, 2023 by
lohedges
[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
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