Tools for chemometrics and machine learning on high-dimensional data (e.g. Partial least squares regression/discrimination)
-
Updated
Jun 14, 2024 - Julia
Tools for chemometrics and machine learning on high-dimensional data (e.g. Partial least squares regression/discrimination)
Examples of scripts with package Jchemo (Training material)
A Windows application for OceanInsight USB2000 and SR2 spectrometers
BecqMoni Nuclear edition
Pyra: Automated EM27/SUN Greenhouse Gas Measurement Software
MASSIVEChem is a pip-installable package centred around mass spectrometry
Export MS Annika crosslink results to different formats.
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.
Core scripts for FluoroMatch, LipidMatch, and PolyMatch
Python control of an electrothermal atomizer system - programming fragments and studies
Clean mass spectrometry imaging dataset and extract geologically meaningful features
A script to merge and optionally validate several MS Annika search results.
A script and functions to group and validate MS Annika results.
Repository of datasets (chemometrics and others) in various formats (JLD2, etc.)
Generate a spectral library for Spectronaut from MS Annika results.
MS Annika is a crosslink search engine based on MS Amanda, aimed at identifying crosslinks of MS2-cleavable crosslinkers from MS2 and MS3 spectra.
Extensions to use the cross-linking tool Scout with other software.
Results and Evaluation of the MS3 Search Algorithm of MS Annika.
Python package for reading Bruker OPUS files.
Architectures for signal processing
Add a description, image, and links to the spectrometry topic page so that developers can more easily learn about it.
To associate your repository with the spectrometry topic, visit your repo's landing page and select "manage topics."