Restore a stereo-preserving tautomer workflow
Restore a stereo-preserving tautomer workflow: a task in SWE-bench-Science (Harbor dataset). A cheminformatics workflow uses the supplied RDKit C++ source snapshot to canonicalize tautomeric forms on a molecule that already carries stereochemical annotations. One compact V3000 input loads…
The task
A cheminformatics workflow uses the supplied RDKit C++ source snapshot to canonicalize tautomeric forms on a molecule that already carries stereochemical annotations. One compact V3000 input loads successfully, but the canonicalization step does not complete.
Part of OpenMOSS-Team/SWE-bench-Science.