GitHub repository: BAMeScience/fiora
Primary language: Jupyter Notebook
Created: 2023-10-11T17:06:17Z
Description: Fiora is an in silico fragmentation algorithm for small compounds that generates tandem mass spectra (MS/MS). The framework employs a graph neural network to predict bond cleavages and fragment ion intensities via edge prediction. Additionally, Fiora can estimate retention times (RT) and collision cross sections (CCS) of the compounds.