Published May 10, 2026 | Version 2.00
Computational notebook Open

Code and data sets for "iDeepLC: chemical structure information yields improved retention time prediction of peptides with unseen modifications" to generate manuscript figures

Description

Scripts used to train iDeepLC models, evaluate retention time predictions and generate manuscript figures. After unzipping the "Zenodo_iDeepLC.zip" file, see README.md for detailed information on how to generate figures and how the folder structure needs to be.

Files

Zenodo_iDeepLC.zip

Files (7.9 GB)

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Additional details

Funding

European Commission
PROTrEIN - Computational Proteomics Training European Innovative Network 956148