GitHub topics: lc-msms
saezlab/lipyd
Python module for lipidomics LC MS/MS data analysis
Language: Python - Size: 17.9 MB - Last synced at: 3 days ago - Pushed at: 12 months ago - Stars: 17 - Forks: 3
fullscreen-triangle/lavoisier
High performance computing solution for mass-spectrometry based metabolomics data analysis pipeline that combines traditional numerical methods with advanced computer vision methods for high volume data using AI-driven metacognitive orchestration layers
Language: HTML - Size: 99.9 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 0 - Forks: 0
sanjaysgk/ProtPeptigram
Visualization of Immunopeptides Mapped to Source Proteins Across Multiple Samples
Language: Jupyter Notebook - Size: 28.7 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 0 - Forks: 0
computational-metabolomics/msPurity
R-package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
Language: HTML - Size: 12.8 MB - Last synced at: 22 days ago - Pushed at: about 1 year ago - Stars: 16 - Forks: 4
jmbadia/MS2ID
High-throughput MS/MS annotation with a in-house database
Language: R - Size: 20.2 MB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 5 - Forks: 1
yufongpeng/SphingolipidsID.jl
Automatic identify sphingolipids through PreIS and MRM
Language: Julia - Size: 17.9 MB - Last synced at: 2 months ago - Pushed at: 8 months ago - Stars: 0 - Forks: 0
rformassspectrometry/metaRbolomics-book
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
Language: TeX - Size: 82.7 MB - Last synced at: 2 months ago - Pushed at: about 4 years ago - Stars: 33 - Forks: 10
AutoFlowResearch/SmartPeak
Fast and Accurate CE-, GC- and LC-MS(/MS) Data Processing
Language: C++ - Size: 203 MB - Last synced at: about 1 year ago - Pushed at: over 2 years ago - Stars: 39 - Forks: 13
yufongpeng/PeptideSeq.jl
Predict and match digested peptides sequences, their mass m/z and MS/MS spectra with chemical derivatization or post-translational modification.
Language: Julia - Size: 2.98 MB - Last synced at: 2 months ago - Pushed at: about 2 years ago - Stars: 1 - Forks: 0
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
Language: MAXScript - Size: 7.07 GB - Last synced at: 2 months ago - Pushed at: over 3 years ago - Stars: 7 - Forks: 2
j-derks/Library-Prediction
Predicting ion-mobility and spectra for labeled peptides
Language: Jupyter Notebook - Size: 912 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0
xyz1396/SiprosToolKits-Sipros4
tools collection of Sipros for stable isotopic mass spectrum meta proteomic research
Language: C - Size: 6.49 MB - Last synced at: over 1 year ago - Pushed at: about 2 years ago - Stars: 1 - Forks: 0
ElucidataInc/ElMaven
LC-MS data processing tool for large-scale metabolomics experiments.
Language: C++ - Size: 643 MB - Last synced at: over 1 year ago - Pushed at: almost 3 years ago - Stars: 84 - Forks: 48
bzhanglab/AutoRT
AutoRT: Peptide retention time prediction using deep learning
Language: Jupyter Notebook - Size: 1.3 GB - Last synced at: over 1 year ago - Pushed at: about 2 years ago - Stars: 17 - Forks: 6
chinmayaNK22/PepAnnotate
Generate annotated Peptide Spectrum Matches (PSMs) from proteomic database search result
Language: Python - Size: 16.6 KB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0
yufongpeng/BloodVolumePCIIS.jl
PCIIS data on DBS sample for volume detection
Language: Julia - Size: 380 KB - Last synced at: 2 months ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
KarimELMERNISSI/MetaboSign
AI web application to diagnose the malignancy of adrenocortical tumors based on LC-MS/MS
Language: Jupyter Notebook - Size: 25.6 MB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
chinmayaNK22/UniformRT
LC-MS/MS derived peptide retention time deviation calculator across replicates for DDA and DIA derived result files.
Language: Python - Size: 22.5 KB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0
MassDynamics/protein-inference
A python package for protein inference in Mass Spectrometric data analysis.
Language: Python - Size: 78.4 MB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 7 - Forks: 2
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.
Language: Python - Size: 32.6 MB - Last synced at: over 1 year ago - Pushed at: about 4 years ago - Stars: 7 - Forks: 6
chinmayaNK22/SpecLib_Feature_Extractor
Extracts the features of peptide spectral library for better understanding and its efficient usage in DIA database search
Language: Python - Size: 7.73 MB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0
margotbligh/Dulce
R package for annotation of glycans in MS1 and MS2 data
Language: R - Size: 62.5 KB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 0
SysMedOs/AdipoAtlasScripts
Python & R scripts collection for AdipoAtlas project
Language: Python - Size: 14.9 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
RicardoMBorges/MFQL-for-Dereplication-of-Natural-Products-Using-LipidPlorer
MFQL files for Natural Products Dereplication
Language: Perl - Size: 76.2 KB - Last synced at: over 1 year ago - Pushed at: over 5 years ago - Stars: 1 - Forks: 0
