R package for optimized LC-MS spectra processing
☆30Jun 22, 2026Updated last month
Alternatives and similar repositories for OptiLCMS
Users that are interested in OptiLCMS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Feb 5, 2024Updated 2 years ago
- ☆12Jul 10, 2022Updated 4 years ago
- R Package for Systematic Optimization of Metabolomic Data Processing☆17Apr 4, 2025Updated last year
- data processing for MS-based metabolomics☆15May 28, 2026Updated 2 months ago
- Annotation of in source LC/MS data☆13Oct 19, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- OpenAPI based libraries for different programming languages like R and Python☆24Aug 3, 2026Updated last week
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 2 years ago
- pathway and network analysis for metabolomics☆44Dec 8, 2025Updated 8 months ago
- ☆13Jan 16, 2025Updated last year
- Convert MSP files into a database☆10May 4, 2021Updated 5 years ago
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆24Jul 23, 2026Updated 2 weeks ago
- R functions for automation of biomarker discovery based on processing downstream of large LC-MS datasets from any peak picking software☆10May 17, 2017Updated 9 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
- TidyMS: Tools for working with MS data in untargeted metabolomics☆63Jul 13, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- R package for MetaboAnalyst☆407Updated this week
- Low level infrastructure to handle MS spectra☆46Updated this week
- A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery☆51Aug 28, 2023Updated 2 years ago
- Metabolomics Tools for Galaxy☆22Nov 22, 2016Updated 9 years ago
- MS2Query - machine learning assisted library querying of MS/MS spectra☆58Nov 6, 2025Updated 9 months ago
- Code associated with the manuscript: Deep Neural Networks for Classification of LC-MS Spectral Peaks☆14Jan 11, 2021Updated 5 years ago
- Untargeted metabolomics workflow for large-scale data processing and analysis implemented in Snakemake☆32Jan 5, 2025Updated last year
- GC/LC-MS data analysis for environmental science☆18Apr 9, 2026Updated 4 months ago
- A bioinformatic tool facilitating automated in-source fragmentation identification☆10Sep 6, 2022Updated 3 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.
- A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations☆23May 22, 2025Updated last year
- ☆27Jun 30, 2026Updated last month
- LipidFinder: A computational workflow for discovery of new lipid molecular species☆22Feb 14, 2021Updated 5 years ago
- On-instrument and post-acquisition targeted feature extraction☆13Apr 24, 2026Updated 3 months ago
- Spectral entropy for mass spectrometry data.☆38Jul 7, 2026Updated last month
- Predicting MS1 precursor chemical formula from MS/MS data☆26Sep 20, 2023Updated 2 years ago
- metabolomics/lipidomics data processing☆10Feb 17, 2021Updated 5 years ago
- A Tool for automated Optimization of XCMS Parameters☆34Nov 27, 2022Updated 3 years ago
- metabCombiner R Package: Paired Untargeted Metabolomics Feature Matching & Data Concatenation☆13May 29, 2024Updated 2 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.
- ☆17Jul 20, 2022Updated 4 years ago
- Metabolome Annotation Workflow☆26Oct 31, 2025Updated 9 months ago
- Molecular formula discovery via bottom-up MS/MS interrogation☆13Sep 4, 2024Updated last year
- mzSpecLib: A standard format to exchange/distribute spectral libraries☆32Mar 27, 2026Updated 4 months ago
- R package for MetFrag☆24Sep 25, 2017Updated 8 years ago
- Scalable and self-optimizing processing workflow for untargeted LC-MS☆33Aug 3, 2024Updated 2 years ago
- ☆10Oct 23, 2024Updated last year