Pinned Repositories
aa2atom
Change amino-acidic sequence into counts of atoms: a simple python module.
chempy
⚗ A package useful for chemistry written in Python
ClipsMS
Comprehensive Localization of Internal Protein Sequences
Collidoscope
Collidoscope trajectory method collisional cross section modeling program
Comet
An tandem mass spectrometry (MS/MS) sequence database search tool.
Cu-Zn-MT3
Data_MetaOdysseus
MS data for MetaOdysseus R package
MetaOdysseus
An R-package for mass spectrometry-based structural analysis of Cysteine-rich metal binding proteins
p53-oxidation-data
Mass spectrometry data for the p53 hydrogen peroxide oxidation
Plumed
Metadynamics scripts to reproduce doi.org/10.1021/jacs.1c05495
ManuelPerisDiaz's Repositories
ManuelPerisDiaz/p53-oxidation-data
Mass spectrometry data for the p53 hydrogen peroxide oxidation
ManuelPerisDiaz/chempy
⚗ A package useful for chemistry written in Python
ManuelPerisDiaz/ClipsMS
Comprehensive Localization of Internal Protein Sequences
ManuelPerisDiaz/Comet
An tandem mass spectrometry (MS/MS) sequence database search tool.
ManuelPerisDiaz/Cu-Zn-MT3
ManuelPerisDiaz/DeconTools
Used to deisotope mass spectra and to detect features from mass spectrometry data using observed isotopic signatures.
ManuelPerisDiaz/envemind
An algorithm for monoisotopic mass prediction for high-resolution mass spectra.
ManuelPerisDiaz/FAST-MS
ManuelPerisDiaz/Fragariyo
Python3 Scripts to peak match terminal and internal fragments with some data analysis tools included. Disulfide bonds are considered when creating theoretical database.
ManuelPerisDiaz/Glyco-Decipher
A software tool for the sensitive interpretation of LC-MS/MS spectra of intact N-glycopeptides with the discovery of unusual modified glycans.
ManuelPerisDiaz/glycresoft
An LC-MS/MS glycan and glycopeptide search engine
ManuelPerisDiaz/glypy
Glycan Analysis and Glycoinformatics Library for Python
ManuelPerisDiaz/Informed-Proteomics
Top down / bottom up, MS/MS analysis tool for DDA and DIA mass spectrometry data
ManuelPerisDiaz/IsoSpec
Libraries for fine isotopic structure calculator.
ManuelPerisDiaz/LCMS-Spectator
LCMS raw data and MS-GF+ results viewer
ManuelPerisDiaz/matchms
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
ManuelPerisDiaz/medusa
The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
ManuelPerisDiaz/mMass
Mass Spectrometry Tool
ManuelPerisDiaz/ms_deisotope
A library for deisotoping and charge state deconvolution of complex mass spectra
ManuelPerisDiaz/msgfplus-1
MS-GF+ (aka MSGF+ or MSGFPlus) performs peptide identification by scoring MS/MS spectra against peptides derived from a protein sequence database.
ManuelPerisDiaz/MSModDetector
This repository determines mass shifts and PTMs in individual ion mass spectrometry data.
ManuelPerisDiaz/MSnID
utilities for handling MS/MS proteomic identifications
ManuelPerisDiaz/navia
ManuelPerisDiaz/OPES-explore
Exploration vs Convergence Speed in Adaptive-bias Enhanced Sampling
ManuelPerisDiaz/Protein-Tools
Code pertaining to generation of theoretical fragments for protein MS/MS experiments including chemical formulae and isotopic distributions.
ManuelPerisDiaz/pymzML
pymzML - an interface between Python and mzML Mass spectrometry Files
ManuelPerisDiaz/pyteomics
Pyteomics is a collection of lightweight and handy tools for Python that help to handle various sorts of proteomics data. Pyteomics provides a growing set of modules to facilitate the most common tasks in proteomics data analysis.
ManuelPerisDiaz/spectrum_utils
Python package for efficient mass spectrometry data processing and visualization
ManuelPerisDiaz/tfde
The repository for Targeted Feature Detection and Extraction (TFD/E).
ManuelPerisDiaz/TopPICR
R package for processing results from TopPIC, including resolving ambiguity in proteoform identification