girke-lab / ChemmineRLinks
Cheminformatics Toolkit for R
β16Updated 4 months ago
Alternatives and similar repositories for ChemmineR
Users that are interested in ChemmineR are comparing it to the libraries listed below
Sorting:
- Integrating R and the CDKβ44Updated last month
- π Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discoveryβ37Updated last year
- R-based access to Mass-Spectrometry dataβ24Updated 4 months ago
- Various Cheminformatic, Curation and Mass Spectrometry Functionsβ15Updated 5 years ago
- 𧬠Toolkit for generating various numerical features of protein sequencesβ53Updated 4 months ago
- A pragmatic interface to RDKit in Rβ26Updated 6 years ago
- The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.β35Updated 4 years ago
- These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconducβ¦β21Updated last year
- Workflow solutions for mass-spectrometry based non-target analysis.β69Updated this week
- 𧬠An R package for visualizing molecular data in 3Dβ97Updated 2 years ago
- metabolite identification R-package for metabolomic high-resolution LC-MS datasets.β16Updated 8 years ago
- R package for MetFragβ24Updated 8 years ago
- Interactive software to analyze and browse mass spectrometry dataβ21Updated 6 months ago
- Interfacing R's Spectra package with the Python world.β13Updated last month
- A Tool for automated Optimization of XCMS Parametersβ34Updated 3 years ago
- High level functionality to support and simplify metabolomics data annotation.β18Updated 3 months ago
- Chemical Similarity Enrichment analysis of metabolomics datasetsβ30Updated last year
- R Interface to the ClassyFire REST APIβ12Updated 11 months ago
- Low level infrastructure to handle MS spectraβ43Updated 3 weeks ago
- This is the git repository matching the Bioconductor package mzR: parser for netCDF, mzXML, mzData and mzML files (mass spectrometry dataβ¦β46Updated last month
- Create .mzML files through the R Consoleβ12Updated 4 months ago
- The pmartR R package provides functionality for quality control, normalization, exploratory data analysis, and statistical analysis of maβ¦β48Updated 2 months ago
- LipidFinder: A computational workflow for discovery of new lipid molecular speciesβ21Updated 4 years ago
- An interactive shiny app for processing DIA-nn output (filtering, MaxLFQ, Top3, iBAQ, etc.)β12Updated last month
- Quantitative Analysis of Mass Spectrometry Dataβ68Updated 3 months ago
- Assigning precursor-product ion relationships in indiscriminant MS/MS dataβ13Updated 2 months ago
- β29Updated 3 years ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectraβ19Updated last year
- Brings Orbitrap mass spectrometry data to life; multi-platform, fast and colorful R packageβ37Updated last year
- The R for Mass Spectrometry meta-packageβ18Updated 2 years ago