Creating and using (chemical) compound databases
☆19Mar 19, 2026Updated 4 months ago
Alternatives and similar repositories for CompoundDb
Users that are interested in CompoundDb are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Workshop illustrating mass spectrometry data analysis in R and use of the updated xcms functionality for the preprocessing of LC-MS data.☆28May 25, 2023Updated 3 years ago
- RHermes is a semi-targeted metabolomics package to deeply characterize biological and environmental samples.☆29May 22, 2026Updated 2 months ago
- A Bioconductor R package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics☆16Mar 12, 2026Updated 4 months ago
- Chemical Similarity Enrichment analysis of metabolomics datasets☆32Jul 19, 2024Updated 2 years ago
- R Interface to the Metabolights REST API☆11Jun 10, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Package to perform annotations of features from LC-MS All-ion fragmentation (AIF) metabolomics datasets☆14May 28, 2026Updated last month
- High level functionality to support and simplify metabolomics data annotation.☆20Mar 19, 2026Updated 4 months ago
- This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data☆14May 9, 2025Updated last year
- Analysis and benchmarking of mass spectra similarity measures using gnps data set.☆24Aug 13, 2021Updated 4 years ago
- data processing for MS-based metabolomics☆15May 28, 2026Updated last month
- Toolkit for untargeted metabolomics profiling☆13Aug 25, 2025Updated 10 months ago
- Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html☆13Nov 30, 2025Updated 7 months ago
- ☆14Apr 8, 2022Updated 4 years ago
- Notebooks in computational metabolomics☆15Feb 3, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- RawQuant is a Python package for extracting scan meta data and quantification values from Thermo .raw files.☆11Jan 4, 2019Updated 7 years ago
- The R for Mass Spectrometry meta-package☆21May 11, 2026Updated 2 months ago
- Core Utils for Mass Spectrometry Data☆17May 11, 2026Updated 2 months ago
- Risa allows to access metadata/data in ISA-tab format and builds Bioconductor data structures. Apart from parsing ISA-tab files, the pack…☆20Oct 17, 2018Updated 7 years ago
- QC systems for metabolomics studies☆11Sep 17, 2025Updated 10 months ago
- Metabolomics Tools for Galaxy☆22Nov 22, 2016Updated 9 years ago
- Shiny app for retention time prediction☆11Dec 1, 2025Updated 7 months ago
- Repository for MetaboShiny, a novel R and RShiny based metabolomics data analysis package.☆19Feb 13, 2026Updated 5 months ago
- metabolite identification R-package for metabolomic high-resolution LC-MS datasets.☆16Apr 19, 2017Updated 9 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆28Nov 30, 2023Updated 2 years ago
- Low level infrastructure to handle MS spectra☆46Jun 12, 2026Updated last month
- Interactive software to analyze and browse mass spectrometry data☆21Jul 3, 2025Updated last year
- Flavonoids are specialized metabolites in plants that have numerous functions including protection against abiotic stresses, pigmentation…☆20Jun 5, 2026Updated last month
- R package for optimized LC-MS spectra processing☆30Jun 22, 2026Updated last month
- Supporting material for "Processing and visualization of metabolomics data using R"☆20Jan 3, 2017Updated 9 years ago
- Retip - Retention Time prediction for metabolomics☆32Jun 6, 2024Updated 2 years ago
- ☆15Nov 7, 2024Updated last year
- Vignettes for Cardinal3 paper☆10Feb 20, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆55Apr 15, 2021Updated 5 years ago
- metabCombiner R Package: Paired Untargeted Metabolomics Feature Matching & Data Concatenation☆13May 29, 2024Updated 2 years ago
- Ms2 basEd saMple vectOrization (memo) package☆17Jun 13, 2023Updated 3 years ago
- Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causal…☆13Feb 11, 2023Updated 3 years ago
- Guide to processing raw LCMS metabolomic and lipidomic data using MS-DIAL, followed by data pre-processing and secondary annotation (of m…☆25Feb 5, 2024Updated 2 years ago
- The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.☆34Mar 23, 2021Updated 5 years ago
- A MALDI Mass Spectrometry Bioinformatics Platform☆31Jun 10, 2026Updated last month