{"id":18524304,"url":"https://github.com/mdanalysis/mdakits","last_synced_at":"2025-08-20T12:31:13.632Z","repository":{"id":51059019,"uuid":"520214011","full_name":"MDAnalysis/MDAKits","owner":"MDAnalysis","description":"The MDAnalysis Toolkits Registry","archived":false,"fork":false,"pushed_at":"2024-10-28T19:51:12.000Z","size":67978,"stargazers_count":17,"open_issues_count":36,"forks_count":26,"subscribers_count":3,"default_branch":"main","last_synced_at":"2024-10-29T17:34:13.274Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"https://mdakits.mdanalysis.org","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/MDAnalysis.png","metadata":{"files":{"readme":"README.rst","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}},"created_at":"2022-08-01T18:04:53.000Z","updated_at":"2024-10-28T19:50:38.000Z","dependencies_parsed_at":"2023-12-03T04:19:31.075Z","dependency_job_id":"c14e2e29-e2a8-4112-a102-ee24c1c68b4a","html_url":"https://github.com/MDAnalysis/MDAKits","commit_stats":{"total_commits":224,"total_committers":22,"mean_commits":"10.181818181818182","dds":0.3973214285714286,"last_synced_commit":"58185d56184726d1d2af41bfe58d39e6735bcae6"},"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MDAnalysis%2FMDAKits","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MDAnalysis%2FMDAKits/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MDAnalysis%2FMDAKits/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MDAnalysis%2FMDAKits/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MDAnalysis","download_url":"https://codeload.github.com/MDAnalysis/MDAKits/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":230423559,"owners_count":18223435,"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":"2024-11-06T17:40:31.476Z","updated_at":"2024-12-19T11:11:51.411Z","avatar_url":"https://github.com/MDAnalysis.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"=====================================\n  The MDAnalysis Toolkits Registry\n=====================================\n\n|numfocus| |powered_by_MDA|\n\n\nContents\n========\n\nThis repository contains the source code for the `MDAKits registry`_.\n\nThe registry hosts a list of MDAKits which it then both documents and\ncontinually validates. For more details about the MDAKit registry, please see\nthe `MDAKit paper`_ in the section *The MDAKit registry*.\n\nFor detailed documentation and tutorials about MDAKits see the MDAKits site\nhttps://mdakits.mdanalysis.org/\n\n\nCreating a new MDAKit\n=====================\n\nThe minimum specification for an MDAKit is defined in the `MDAKit\npaper`_ under *The MDAKit framework*. To developers in creating best\npractices adhering projects, a `cookiecutter`_ has been made\navailable.\n\n\nAdding a new MDAKit\n===================\n\nAdding a new MDAKit involves making a PR against\nthis repository and adding a new `metadata`_ file within it's own\nrespective directory under `mdakits`.\n\n*The registry is currently in development, the way by which new MDAKits are\nadded may change over time. If you have any concerns or questions about the\nprocess, please reach out by raising an issue!*\n\n\nLicense\n=======\n\nAll written documentation materials are provided under a CC-BY-4.0-SA license, whilst codes (CI, utilities, etc...)\nare licensed under ther terms of the MIT license. Please see the `LICENSE`_ for more details.\n\nAcknowledgements\n================\n\nThe development of this repository is supported by a grant from the Chan Zuckerberg Initiative under an EOSS4 award.\n\nReferences\n==========\n\n1. Irfan Alibay, Lily Wang, Fiona Naughton, Ian Kenney, Jonathan Barnoud,\n   Richard J Gowers, and Oliver Beckstein. **MDAKits: A framework for\n   FAIR-compliant molecular simulation analysis.** In Meghann Agarwal, Chris\n   Calloway, and Dillon Niederhut, editors, *Proceedings of the 22nd Python in\n   Science Conference (SCIPY 2023)*, pages 76-84, Austin, TX, 2023. doi:\n   `10.25080/gerudo-f2bc6f59-00a`_.\n\n.. _`MDAKits registry`: https://mdakits.mdanalysis.org/mdakits.html\n   \n.. _`metadata`: mdakits/template/metadata.yaml\n\n.. _`MDAKit paper`: https://doi.org/10.25080/gerudo-f2bc6f59-00a\n\n.. _`10.25080/gerudo-f2bc6f59-00a`: https://doi.org/10.25080/gerudo-f2bc6f59-00a\n\n.. _`cookiecutter`: https://github.com/MDAnalysis/cookiecutter-mdakit\n\n.. _`LICENSE`: LICENSE\n\n.. |numfocus| image:: https://img.shields.io/badge/powered%20by-NumFOCUS-orange.svg?style=flat\u0026colorA=E1523D\u0026colorB=007D8A\n   :alt: Powered by NumFOCUS\n   :target: https://www.numfocus.org/\n\n\n.. |powered_by_MDA| image:: https://img.shields.io/badge/Powered%20by-MDAnalysis-orange.svg?logoWidth=15\u0026logo=data:image/x-icon;base64,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\n   :alt: Powered by MDAnalysis\n   :target: https://www.mdanalysis.org\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmdanalysis%2Fmdakits","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmdanalysis%2Fmdakits","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmdanalysis%2Fmdakits/lists"}