cnn-inference-on-spectral-data - Generate molecular embeddings from MS/MS spectra with CNN
mass-spectrometry metabolomics cnn inference
Updated 2026-09-19
Passes preprocessed MS/MS spectra through a trained CNN model to extract multidimensional molecular embedding vectors for downstream metabolite matching.
⚙ Load preprocessed MS/MS spectral data ⚙ Initialize trained CNN model checkpoint ⚙ Extract molecular embedding vectors