Restore consistent NMR peak-set encoding under batch padding
Restore consistent NMR peak-set encoding under batch padding: a task in SWE-bench-Science (Harbor dataset). You are repairing a scientific machine-learning workflow in the supplied NMRTrans source snapshot. The workflow encodes 1H and 13C NMR peak sets into continuous representations that a…
The task
You are repairing a scientific machine-learning workflow in the supplied NMRTrans source snapshot. The workflow encodes 1H and 13C NMR peak sets into continuous representations that a decoder consumes for molecular structure elucidation. The required representation treats spectra as unordered peak sets and uses…
Part of OpenMOSS-Team/SWE-bench-Science.