girke-lab / ChemmineRLinks
Cheminformatics Toolkit for R
☆16Updated last month
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 CDK☆43Updated last year
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Updated 9 months ago
- R-based access to Mass-Spectrometry data☆24Updated 6 months ago
- Various Cheminformatic, Curation and Mass Spectrometry Functions☆14Updated 4 years ago
- A pragmatic interface to RDKit in R☆25Updated 5 years ago
- R Interface to the ClassyFire REST API☆11Updated 4 months ago
- ☆28Updated 3 years ago
- High level functionality to support and simplify metabolomics data annotation.☆16Updated 3 weeks ago
- The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.☆33Updated 4 years ago
- Rocker image for metabolomics data analysis☆13Updated 3 weeks ago
- Create .mzML files through the R Console☆11Updated 3 years ago
- LipidFinder: A computational workflow for discovery of new lipid molecular species☆20Updated 4 years ago
- These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconduc…☆21Updated 10 months ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectra☆19Updated last year
- R package for MetFrag☆24Updated 7 years ago
- Workflow solutions for mass-spectrometry based non-target analysis.☆65Updated this week
- Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html☆13Updated 8 months ago
- Shiny app for retention time prediction☆9Updated 5 years ago
- This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data☆11Updated last month
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆14Updated 2 years ago
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.☆11Updated 2 years ago
- Assigning precursor-product ion relationships in indiscriminant MS/MS data☆14Updated last month
- Compile Mass Spectral Libraries from Various Sources☆17Updated last year
- ☆13Updated 7 years ago
- 🧬 Toolkit for generating various numerical features of protein sequences☆52Updated 9 months ago
- Interactive software to analyze and browse mass spectrometry data☆21Updated last year
- ☆14Updated 2 years ago
- Chemical Similarity Enrichment analysis of metabolomics datasets☆29Updated 11 months ago
- Organic/biological mass spectrometry data analysis (development version).☆30Updated 7 years ago
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS☆16Updated 6 months ago