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Published June 5, 2023 | Version v1
Dataset Open

Predicting glycan structure from tandem mass spectrometry via deep learning

Creators

  • 1. University of Gothenburg
  • 2. Maynooth University

Description

Curated set of LC-MS/MS data from glycomics studies. Used for training and applying CandyCrunch, a deep learning model to predict glycan structure from LC-MS/MS data, described in Urban et al., bioRxiv, 2023 and https://github.com/BojarLab/CandyCrunch.

Files:

full_dataset.xlsx: Full dataset with all annotated LC-MS/MS glycan spectra

X_train.pkl: spectra and metadata from our training set

y_train.pkl: labels from our training set

X_test.pkl: spectra and metadata from our independent test set

y_test.pkl: labels from our independent test set

Files

Files (6.6 GB)

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