Repair an inconsistent tandem-mass spectral similarity workflow
Repair an inconsistent tandem-mass spectral similarity workflow: a task in SWE-bench-Science (Harbor dataset). A mass-spectrometry group is comparing a small library of complete tandem mass spectra using the historical matchms source snapshot supplied with this task. The workflow finishes and…
The task
A mass-spectrometry group is comparing a small library of complete tandem mass spectra using the historical `matchms` source snapshot supplied with this task. The workflow finishes and returns finite values, but the resulting similarity matrix is not consistent with the scientific interpretation of an entropy-based…
Part of OpenMOSS-Team/SWE-bench-Science.