lc-msms
There are 23 repositories under lc-msms topic.
ElucidataInc/ElMaven
LC-MS data processing tool for large-scale metabolomics experiments.
AutoFlowResearch/SmartPeak
Fast and Accurate CE-, GC- and LC-MS(/MS) Data Processing
rformassspectrometry/metaRbolomics-book
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
bzhanglab/AutoRT
AutoRT: Peptide retention time prediction using deep learning
computational-metabolomics/msPurity
R-package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
saezlab/lipyd
Python module for lipidomics LC MS/MS data analysis
MassDynamics/protein-inference
A python package for protein inference in Mass Spectrometric data analysis.
aalto-ics-kepaco/msms_rt_score_integration
Code, Data and Results of the publication: "Probabilistic Framework for Integration of Tandem-Mass Spectrum and Retention Time Information in Small Molecule Identification" by Bach et al. 2020
SysMedOs/lipidhunter
LipidHunter is capable to perform bottom up identification of lipids from LC-MS/MS and shotgun lipidomics data by resembling a workflow of manual spectra annotation. LipidHunter generates interactive HTML output with its unique six-panel-image, which provides an easy way to review, store, and share the identification results.
chalbori/bmdms-np
BMDMS-NP
jmbadia/MS2ID
High-throughput MS/MS annotation with a in-house database
xyz1396/SiprosToolKits-Sipros4
tools collection of Sipros for stable isotopic mass spectrum meta proteomic research
chinmayaNK22/PepAnnotate
Generate annotated Peptide Spectrum Matches (PSMs) from proteomic database search result
chinmayaNK22/SpecLib_Feature_Extractor
Extracts the features of peptide spectral library for better understanding and its efficient usage in DIA database search
chinmayaNK22/UniformRT
LC-MS/MS derived peptide retention time deviation calculator across replicates for DDA and DIA derived result files.
margotbligh/Dulce
R package for annotation of glycans in MS1 and MS2 data
RicardoMBorges/MFQL-for-Dereplication-of-Natural-Products-Using-LipidPlorer
MFQL files for Natural Products Dereplication
yufongpeng/PeptideSeq.jl
Predict and match digested peptides sequences, their mass m/z and MS/MS spectra with chemical derivatization or post-translational modification.
KarimELMERNISSI/MetaboSign
AI web application to diagnose the malignancy of adrenocortical tumors based on LC-MS/MS
SysMedOs/AdipoAtlasScripts
Python & R scripts collection for AdipoAtlas project
yufongpeng/BloodVolumePCIIS.jl
PCIIS data on DBS sample for volume detection
yufongpeng/SphingolipidsID.jl
Automatic identify sphingolipids through PreIS and MRM
j-derks/Library-Prediction
Predicting ion-mobility and spectra for labeled peptides