Projects in Awesome Lists by BAMeScience
A curated list of projects in awesome lists by BAMeScience .
https://github.com/bamescience/fiora
Fiora is an in silico fragmentation algorithm for small compounds that produces simulated 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.
bioinformatics gnn-model metabolomics tandem-ms
Last synced: 12 Apr 2025
https://github.com/bamescience/mistle
Mistle is a fast spectral search engine. It uses a fragment-indexing technique and SIMD intrinsics to match experimental MS2 spectra to large spectral libraries at a high performance.
algorithm metaproteomics proteomics spectral-library tandem-ms
Last synced: 12 Apr 2025
https://github.com/bamescience/equitrain
Generic training script for Equiformer
Last synced: 12 Jan 2025
https://github.com/bamescience/pepgm
Graphical model for taxonomic profiling
Last synced: 12 Apr 2025
https://github.com/bamescience/hmfa-spectra
Indirect Hard Modeling (IHM) for Spectral Component Identification
Last synced: 29 Apr 2025