https://github.com/openms/mz-calculator
https://github.com/openms/mz-calculator
Last synced: 9 months ago
JSON representation
- Host: GitHub
- URL: https://github.com/openms/mz-calculator
- Owner: OpenMS
- License: other
- Created: 2025-07-03T12:13:13.000Z (9 months ago)
- Default Branch: main
- Last Pushed: 2025-07-10T12:27:08.000Z (9 months ago)
- Last Synced: 2025-07-11T18:55:31.179Z (9 months ago)
- Language: Python
- Size: 23.1 MB
- Stars: 1
- Watchers: 0
- Forks: 0
- Open Issues: 6
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# OpenMS streamlit template
[](https://abi-services.cs.uni-tuebingen.de/streamlit-template/)
This repository contains a template app for OpenMS workflows in a web application using the **streamlit** framework. It serves as a foundation for apps ranging from simple workflows with **pyOpenMS** to complex workflows utilizing **OpenMS TOPP tools** with parallel execution. It includes solutions for handling user data and parameters in workspaces as well as deployment with docker-compose.
## Features
- Workspaces for user data with unique shareable IDs
- Persistent parameters and input files within a workspace
- local and online mode
- Captcha control
- Packaged executables for Windows
- framework for workflows with OpenMS TOPP tools
- Deployment [with docker-compose](https://github.com/OpenMS/streamlit-deployment)
## Documentation
Documentation for **users** and **developers** is included as pages in [this template app](https://abi-services.cs.uni-tuebingen.de/streamlit-template/), indicated by the 📖 icon.
## Citation
Please cite:
Müller, T. D., Siraj, A., et al. OpenMS WebApps: Building User-Friendly Solutions for MS Analysis. Journal of Proteome Research (2025). [https://doi.org/10.1021/acs.jproteome.4c00872](https://doi.org/10.1021/acs.jproteome.4c00872)
## References
- Pfeuffer, J., Bielow, C., Wein, S. et al. OpenMS 3 enables reproducible analysis of large-scale mass spectrometry data. Nat Methods 21, 365–367 (2024). [https://doi.org/10.1038/s41592-024-02197-7](https://doi.org/10.1038/s41592-024-02197-7)
- Röst HL, Schmitt U, Aebersold R, Malmström L. pyOpenMS: a Python-based interface to the OpenMS mass-spectrometry algorithm library. Proteomics. 2014 Jan;14(1):74-7. [https://doi.org/10.1002/pmic.201300246](https://doi.org/10.1002/pmic.201300246). PMID: [24420968](https://pubmed.ncbi.nlm.nih.gov/24420968/).