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accucor

de

Differential evolution algorithm application in quantum control experiment

de-novo-sequencing

elmaven

LC-MS data processing tool for large-scale metabolomics experiments.

img_overlay

manually overlay two images, using translation, rotation and scaling in matlab app

isocorr13c15n

natural isotope correction for 13C/15N labeled

isocorr_peptide

isoscope

IsoScope is an open-source, user-friendly software package to visualize and perform data analysis of mass spectrometry imaging (msi) data, with a focus on isotope labeling.

isoscopeapp

jdfc_v2.0

This is a rewritten code based on version JDFC_v1.1 from https://github.com/stefanbroeer/JDFC_v1.1

lcd-graphic-hex-converter

graphics encoded in hex for PIC application

midview_isocorrcn

Natural isotope corrected with 13C and 15N labeling. Quick MID views with sample grouping statistics

mutagenesis

Batch tool for automated mutagenesis and excel spreedsheet output

mzdiff_scan

Find the common mass differences within peaklist from LC/MS untargeted metabolomics data, which is presented as the differential frequency spectrum. Automatic assignment of the prominent peaks in this frequency spectrum as the combination of unit molecular groups. This tool is useful to find out possible molecular formula for unknown peaks.

netid

A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery

optcorr_script

pave

pave2.0

peakscnn

Use deep learning CNN model to classify LC-MS features from peak picking results

pepmid_simul

peptide MID simulation and turnover rate fittings in batch mode

rhermes

RHermes is a semi-targeted metabolomics package to deeply characterize biological and environmental samples.

sequence-alignment-tool

performs multi-sequence alignment and exports to excel with color highlights

sirius-libs

sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java

svr_hdmr

A machine learning algorithm with user interface combining support vector machine with high dimensional model representation