Waters2mzML converts & subsequently annotates Waters .raw MSn data (both MSe & DDA) into functional .mzML files. Obtained .mzML files can be processed in MZmine 3. It would be interesting to see if it works for all Waters .raw data and other processing streamlines.
☆20Aug 17, 2023Updated 3 years ago
Alternatives and similar repositories for Waters2mzML
Users that are interested in Waters2mzML are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Apr 12, 2023Updated 3 years ago
- Public Workflows at GNPS☆69Jan 30, 2024Updated 2 years ago
- Metabolomics And Dereplication By Two-dimensional Experiments - MADByTE NMR Metabolomics Platform☆13Jul 23, 2025Updated last year
- Galaxy tools for metabolomics maintained by Workflow4Metabolomics☆34Oct 16, 2026Updated 3 weeks ago
- Interfacing R's Spectra package with the Python world.☆13May 12, 2026Updated 5 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆89Sep 15, 2026Updated last month
- Compile Mass Spectral Libraries from Various Sources☆21May 3, 2024Updated 2 years ago
- This package is a python warpper for CFM-ID☆13Aug 26, 2022Updated 4 years ago
- Formula IDentification from tandem mass spectra by Deep LEarning☆17Oct 24, 2026Updated last week
- mzmine source code repository☆308Oct 30, 2026Updated last week
- ☆10Aug 31, 2018Updated 8 years ago
- DeepSeMS: a large language model reveals hidden biosynthetic potential of the global ocean microbiome.☆16Apr 24, 2026Updated 6 months ago
- This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis☆236Oct 8, 2026Updated 3 weeks ago
- A known-to-unknown metabolite identification workflow☆22Sep 15, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Transformer-Based Predictor for Nonribosomal Peptide Synthetases (NRPS) Specificity. Published in JACS (DOI: 10.1021/jacs.5c08076).☆12Sep 11, 2025Updated last year
- ☆12Jul 10, 2022Updated 4 years ago
- Universal workbench incorporating msdial, msfinder, and mrmprobs☆126Updated this week
- 2-step approach for transferable retention time prediction☆16Updated this week
- ☆17Oct 5, 2026Updated last month
- ☆30Jul 30, 2024Updated 2 years ago
- A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery☆54Aug 28, 2023Updated 3 years ago
- ☆12Feb 20, 2026Updated 8 months ago
- Scalable and self-optimizing processing workflow for untargeted LC-MS☆33Aug 3, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.☆277Updated this week
- Python script to run Vina-GPU against the AlphaFold proteome of any species☆10Apr 23, 2026Updated 6 months ago
- Set of Galaxy tool wrappers developed at RECETOX☆15Updated this week
- This is a R package for alignment of DIA mass-spec data☆12Jan 31, 2026Updated 9 months ago
- High level functionality to support and simplify metabolomics data annotation.☆21Aug 5, 2026Updated 3 months ago
- ☆49Mar 14, 2025Updated last year
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆18Sep 29, 2023Updated 3 years ago
- A manually curated lists of software, publications and other resources related to the analysis of HDX-MS data.☆13Dec 15, 2025Updated 10 months ago
- An R library for estimating causal effects☆13Apr 25, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Wrapper to access InChI from Java☆13Jul 26, 2026Updated 3 months ago
- Codebase for WHO estimates of excess mortality associated with the COVID-19 pandemic☆12Feb 25, 2023Updated 3 years ago
- Flash entropy search☆18Sep 24, 2023Updated 3 years ago
- depict package for drawing molecules in R☆11Mar 5, 2024Updated 2 years ago
- JSONPath for R☆12Jan 7, 2026Updated 9 months ago
- ☆20Jul 12, 2023Updated 3 years ago
- ☆11Sep 21, 2021Updated 5 years ago