tandem-ms
There are 0 repository under tandem-ms topic.
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.
Language:Jupyter Notebook 24Mistle 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.
Language:C++ 14hgb-bin-proteomics / MSAnnika
MS Annika is a crosslink search engine based on MS Amanda, aimed at identifying crosslinks of cleavable and non-cleavable crosslinkers from MS2 and MS3 spectra.
MS Amanda is a scoring system to identify peptides out of tandem mass spectrometry data using a database of known proteins.
Export MS Annika crosslink results to different formats.
Language:Python 3Extensions for better usability of the cross-linking tool MaXLinker.
Language:Python 1Calculates Intensities of Cross-linked Peptides from MS Annika CSMs.
Language:Python 1List of all available extensions for our cross-linking search engine MS Annika.
0A script and functions to group and validate MS Annika results.
Language:Python 0Results and Evaluation of the MS3 Search Algorithm of MS Annika.
Language:Jupyter Notebook 0Generate a spectral library for Spectronaut from MS Annika results.
Language:Python 0A script to merge and optionally validate several MS Annika search results.
Language:Python