BecqMoni Nuclear edition
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Updated
Oct 7, 2024 - C#
BecqMoni Nuclear edition
Tools for chemometrics and machine learning on high-dimensional data (e.g. Partial least squares regression/discrimination)
MS Amanda is a scoring system to identify peptides out of tandem mass spectrometry data using a database of known proteins.
MS Annika is a crosslink search engine based on MS Amanda, aimed at identifying crosslinks of MS2-cleavable crosslinkers from MS2 and MS3 spectra.
Short talk presentation, poster and abstract for APMRS-CEEPC 2024
Pyra: Automated EM27/SUN Greenhouse Gas Measurement Software
Core scripts for FluoroMatch, LipidMatch, and PolyMatch
Examples of scripts with package Jchemo (Training material)
A Monte Carlo simulation code of energy dispersive, photon counting (PC) silicon drift detectors (SDDs) for x-ray fluorescence (XRF) and spectrometry applications. The simulation includes PC detectors intended for spectrometry and molecular imaging. The detector is based on Amptek XR100 FastSDD Xray detector (Amptek Inc., Bedford, MA, USA)
Repository containing scripts used for the analysis and visualization of the results of the MS Annika 3.0 non-cleavable crosslink search.
Searching for peptide candidates using sparse matrix + matrix/vector multiplication.
Proof-of-concept implementation of a search engine that uses sparse matrix multiplication to identify the best peptide candidates for a given mass spectrum.
Repository of datasets (chemometrics and others) in various formats (JLD2, etc.)
Generate a spectral library for Spectronaut from MS Annika results.
MASSIVEChem is a pip-installable package centred around mass spectrometry
The Mass Spec Query Language (MassQL) is a domain specific language meant to be a succinct way to express a query in a mass spectrometry centric fashion.
Analysis of the behavior of USpekPy with the number of iterations
List of all available extensions for our cross-linking search engine MS Annika.
Export MS Annika crosslink results to different formats.
A simple python script to fix scan numbers in result files generated by Proteome Discoverer.
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