Predicting glycan structure from tandem mass spectrometry via deep learning
收藏NIAID Data Ecosystem2026-05-01 收录
下载链接：
https://zenodo.org/record/7940046
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资源简介：
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., Nat Methods, 2024 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
glycans.pkl: glycans in IUPAC-condensed nomenclature in the same order as the label-encoding
创建时间：
2024-04-19
