{"id":29433803,"url":"https://github.com/openms/mz-calculator","last_synced_at":"2025-07-13T01:39:08.044Z","repository":{"id":302809769,"uuid":"1013135189","full_name":"OpenMS/mz-calculator","owner":"OpenMS","description":null,"archived":false,"fork":false,"pushed_at":"2025-07-10T12:27:08.000Z","size":24247,"stargazers_count":1,"open_issues_count":6,"forks_count":0,"subscribers_count":0,"default_branch":"main","last_synced_at":"2025-07-11T18:55:31.179Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"other","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/OpenMS.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2025-07-03T12:13:13.000Z","updated_at":"2025-07-03T12:28:36.000Z","dependencies_parsed_at":"2025-07-04T11:25:43.495Z","dependency_job_id":null,"html_url":"https://github.com/OpenMS/mz-calculator","commit_stats":null,"previous_names":["openms/mz-calculator"],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/OpenMS/mz-calculator","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/OpenMS%2Fmz-calculator","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/OpenMS%2Fmz-calculator/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/OpenMS%2Fmz-calculator/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/OpenMS%2Fmz-calculator/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/OpenMS","download_url":"https://codeload.github.com/OpenMS/mz-calculator/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/OpenMS%2Fmz-calculator/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":265080042,"owners_count":23708103,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":[],"created_at":"2025-07-13T01:39:00.527Z","updated_at":"2025-07-13T01:39:08.032Z","avatar_url":"https://github.com/OpenMS.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# OpenMS streamlit template \n\n[![Open Template!](https://static.streamlit.io/badges/streamlit_badge_black_white.svg)](https://abi-services.cs.uni-tuebingen.de/streamlit-template/)\n\nThis 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.\n\n## Features\n\n- Workspaces for user data with unique shareable IDs\n- Persistent parameters and input files within a workspace\n- local and online mode\n- Captcha control\n- Packaged executables for Windows\n- framework for workflows with OpenMS TOPP tools\n- Deployment [with docker-compose](https://github.com/OpenMS/streamlit-deployment)\n\n## Documentation\n\nDocumentation 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.\n\n## Citation\n\nPlease cite:\nMüller, 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)\n\n## References\n\n- 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)\n\n- 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/).\n\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fopenms%2Fmz-calculator","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fopenms%2Fmz-calculator","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fopenms%2Fmz-calculator/lists"}