Chemical Similarity Enrichment analysis of metabolomics datasets
☆32Jul 19, 2024Updated last year
Alternatives and similar repositories for ChemRICH
Users that are interested in ChemRICH are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆28Nov 30, 2023Updated 2 years ago
- metabCombiner R Package: Paired Untargeted Metabolomics Feature Matching & Data Concatenation☆13May 29, 2024Updated last year
- Mass spectral library manager☆13Apr 9, 2020Updated 6 years ago
- metabolomics/lipidomics data processing☆10Feb 17, 2021Updated 5 years ago
- Retip - Retention Time prediction for metabolomics☆31Jun 6, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Defined MRM transitions from untargeted metabolomics data☆11Nov 13, 2023Updated 2 years ago
- Creating and using (chemical) compound databases☆19Mar 19, 2026Updated last month
- 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 2 years ago
- A Bioconductor R package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics☆16Mar 12, 2026Updated last month
- Repo hosting the MetFrag website☆10Apr 6, 2026Updated last month
- Flash entropy search☆17Sep 24, 2023Updated 2 years ago
- Efficiently predicting high resolution mass spectra with graph neural networks☆32Aug 3, 2023Updated 2 years ago
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆16Jun 1, 2023Updated 2 years ago
- ☆55Apr 15, 2021Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆15Oct 4, 2021Updated 4 years ago
- Package to perform annotations of features from LC-MS All-ion fragmentation (AIF) metabolomics datasets☆14Apr 13, 2026Updated 3 weeks ago
- R interface to Chemical Translation Service (CTS)☆17Jul 27, 2024Updated last year
- Supporting material for "Processing and visualization of metabolomics data using R"☆20Jan 3, 2017Updated 9 years ago
- Network mapping tool for metabolomics + data.☆54Feb 5, 2016Updated 10 years ago
- R Interface to the ClassyFire REST API☆14Apr 27, 2026Updated last week
- 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
- Bondorder and formal charge determination for molecules☆10Jan 16, 2022Updated 4 years ago
- geoRge: a computational tool for stable isotope labelling detection in LC/MS-based untargeted metabolomics☆11Sep 17, 2021Updated 4 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.
- ☆34Dec 12, 2024Updated last year
- In silico chemical library engine for high-accuracy chemical property prediction☆64May 2, 2025Updated last year
- A package to cluster and visualise MS/MS spectral data☆11Feb 26, 2021Updated 5 years ago
- Calculation and visualization of molecular networks based on t-SNE algorithm☆35Jan 29, 2025Updated last year
- Shiny app for retention time prediction☆11Dec 1, 2025Updated 5 months ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆15Sep 24, 2022Updated 3 years ago
- The splash, this is the reference documentation☆26Mar 23, 2026Updated last month
- ☆14Apr 8, 2022Updated 4 years ago
- A workflow for metabolite identification and accurate profiling in multidimensional LC-IM-MS-DIA measurements. DOI: 10.5281/zenodo.☆16Apr 25, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Single sample pathway analysis tools for omics data☆14Nov 9, 2024Updated last year
- Toolkit for untargeted metabolomics profiling☆13Aug 25, 2025Updated 8 months ago
- metabolite identification R-package for metabolomic high-resolution LC-MS datasets.☆16Apr 19, 2017Updated 9 years ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectra☆20Jan 24, 2024Updated 2 years ago
- Tools Databases Resources in Metabolomics & Integrated Omics in 2015-2016☆12Mar 7, 2020Updated 6 years ago
- Trigger the Google Genomics Pipeline API with CWL☆11Feb 7, 2017Updated 9 years ago
- The mwtab package is a Python library that facilitates reading and writing files in mwTab format used by the Metabolomics Workbench for a…☆12Apr 27, 2026Updated last week