Acquire & filter mass spectral libraries based on sample taxonomy
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Updated
Jun 8, 2017 - Python
Acquire & filter mass spectral libraries based on sample taxonomy
Python isotopic pattern calculator library
Origami analyst is a Framework tool, which provides predictive structural data on a protein based off Mass Spectrometry and Ion mobility data provided by the user. It is still a work in progress and my first project to upload to github.
Energy-Dependent Electrospray Ionization Plotting Software
Peak Detection algorithm refine for testing the number of peaks based on different approaches
Classification of spectral peaks using machine learning approach
Workflow for LC-MS feature analysis and spatial mapping
Engine for metabolite annotation for imaging mass spectrometry
🐍 Open-Source Software for the semi-automated analysis of glycopeptide mass spectrometry data
Specter: linear deconvolution for targeted analysis of data-independent acquisition mass spectrometry proteomics
Python helpers for handling chemical formulas.
Mass Spec Image format Importer for python
pDeep: Predicting MS/MS Spectra of Peptides with Deep Learning
Software for calculation of collisional cross sections
Simultaneous measurement of absolute metabolite concentration and isotope incorporation by mass spectrometry
Prediction of the atomic composition based on a single accurate mass -- Python
A bioinformatic resource made in the Cardiovascular Proteomics Lab at CNIC to build workflows for quantitative high-throughput proteomics, systems biology and the statistical analysis, integration and comparison of experiments.
Snakemake workflow that reanalyzes proteomics data from a PRIDE Archive project to create a spectral library
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