MS2Query - machine learning assisted library querying of MS/MS spectra
☆55Nov 6, 2025Updated 3 months ago
Alternatives and similar repositories for ms2query
Users that are interested in ms2query are comparing it to the libraries listed below
Sorting:
- The Mass Spec Query Language (MassQL) is a domain specific language meant to be a succinct way to express a query in a mass spectrometry …☆56Dec 10, 2025Updated 2 months ago
- ☆12Jan 16, 2025Updated last year
- ☆11Feb 5, 2024Updated 2 years ago
- A bioinformatic tool facilitating automated in-source fragmentation identification☆10Sep 6, 2022Updated 3 years ago
- ☆24Jan 27, 2026Updated last month
- Word2Vec based similarity measure of mass spectrometry data.☆78Nov 10, 2025Updated 3 months ago
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS☆16Jan 8, 2026Updated last month
- ☆11Feb 20, 2026Updated last week
- Spectral entropy for mass spectrometry data.☆36Dec 25, 2025Updated 2 months ago
- SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository…☆138Nov 7, 2025Updated 3 months ago
- R package for optimized LC-MS spectra processing☆27Feb 12, 2026Updated 2 weeks ago
- FBMN-STATS: A hitchhiker's guide to statistical analysis of Feature-based Molecular Networks☆44Jun 23, 2025Updated 8 months ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectra☆19Jan 24, 2024Updated 2 years ago
- data processing for MS-based metabolomics☆15Nov 10, 2024Updated last year
- Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.☆249Feb 11, 2026Updated 2 weeks ago
- a python package for molecular formula analysis in MS-based small molecule studies☆33Jan 28, 2026Updated last month
- LipidFinder: A computational workflow for discovery of new lipid molecular species☆21Feb 14, 2021Updated 5 years ago
- A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery☆51Aug 28, 2023Updated 2 years ago
- asari, metabolomics data preprocessing☆59Jan 29, 2026Updated last month
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆20Oct 15, 2024Updated last year
- Annotation of in source LC/MS data☆12Oct 19, 2024Updated last year
- Untargeted metabolomics workflow for large-scale data processing and analysis implemented in Snakemake☆31Jan 5, 2025Updated last year
- Scalable and self-optimizing processing workflow for untargeted LC-MS☆31Aug 3, 2024Updated last year
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆72Jun 5, 2024Updated last year
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 2 years ago
- R Interface to the ClassyFire REST API☆12Feb 21, 2025Updated last year
- Tool for reliability assessment of omics peprocessing☆11Jan 13, 2026Updated last month
- mzmine source code repository☆258Feb 20, 2026Updated last week
- Predicting tandem mass spectra from molecules☆131Feb 10, 2026Updated 2 weeks ago
- ☆10Oct 23, 2024Updated last year
- Ms2 basEd saMple vectOrization (memo) package☆17Jun 13, 2023Updated 2 years ago
- Bottom-up MS/MS interrogation & Experiment-specific global annotation☆31Dec 19, 2024Updated last year
- OpenAPI based libraries for different programming languages like R and Python☆19Feb 19, 2026Updated last week
- ☆33Dec 12, 2024Updated last year
- mz.unity is an R package for detecting and exploring complex relationships in accurate-mass mass spectrometry data☆14Apr 9, 2016Updated 9 years ago
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆74Feb 5, 2026Updated 3 weeks ago
- ☆37Dec 15, 2025Updated 2 months ago
- Libraries for fine isotopic structure calculator.☆41Feb 17, 2026Updated last week
- G-Aligner: a graph-based feature alignment method for untargeted LC-MS-based metabolomics☆17Mar 9, 2024Updated last year