{"id":27424277,"url":"https://github.com/janssenhenning/aiida-dataframe","last_synced_at":"2025-04-14T11:39:23.459Z","repository":{"id":50353899,"uuid":"518836019","full_name":"janssenhenning/aiida-dataframe","owner":"janssenhenning","description":"AiiDA data plugin for pandas DataFrame objects","archived":false,"fork":false,"pushed_at":"2025-03-03T19:24:08.000Z","size":145,"stargazers_count":5,"open_issues_count":2,"forks_count":1,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-04-07T02:08:58.297Z","etag":null,"topics":["aiida","aiida-framework","aiida-plugin","dataframe","ias","judft","pandas","pgi","python"],"latest_commit_sha":null,"homepage":"https://aiida-dataframe.readthedocs.io/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/janssenhenning.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":"2022-07-28T12:24:52.000Z","updated_at":"2025-01-26T03:53:42.000Z","dependencies_parsed_at":"2025-02-03T23:19:26.154Z","dependency_job_id":"b459fd78-905b-4491-b8bc-b2a1f3793e3e","html_url":"https://github.com/janssenhenning/aiida-dataframe","commit_stats":{"total_commits":29,"total_committers":3,"mean_commits":9.666666666666666,"dds":0.06896551724137934,"last_synced_commit":"e6af125300529e8a5b4439afca76ae7a67aa731d"},"previous_names":[],"tags_count":4,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/janssenhenning%2Faiida-dataframe","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/janssenhenning%2Faiida-dataframe/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/janssenhenning%2Faiida-dataframe/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/janssenhenning%2Faiida-dataframe/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/janssenhenning","download_url":"https://codeload.github.com/janssenhenning/aiida-dataframe/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248873444,"owners_count":21175621,"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":["aiida","aiida-framework","aiida-plugin","dataframe","ias","judft","pandas","pgi","python"],"created_at":"2025-04-14T11:39:18.889Z","updated_at":"2025-04-14T11:39:23.448Z","avatar_url":"https://github.com/janssenhenning.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"[![Build Status][ci-badge]][ci-link]\n[![Coverage Status][cov-badge]][cov-link]\n[![Docs status][docs-badge]][docs-link]\n[![PyPI version][pypi-badge]][pypi-link]\n\n# aiida-dataframe\n\nAiiDA data plugin for pandas DataFrame objects\n\n## Features\n\n * Store `pandas.DataFrame` objects in the Database:\n   ```python\n   import pandas as pd\n   PandasFrameData = DataFactory('dataframe.frame')\n   df = pd.DataFrame(\n        {\n            \"A\": 1.0,\n            \"B\": pd.Timestamp(\"20130102\"),\n            \"C\": pd.Series(1, index=list(range(4)), dtype=\"float32\"),\n            \"D\": np.array([3] * 4, dtype=\"int32\"),\n            \"E\": pd.Categorical([\"test\", \"train\", \"test\", \"train\"]),\n            \"F\": \"foo\",\n        }\n    )\n   df_node = PandasFrameData(df)\n   df_node.store()\n   ```\n\n * Retrieving the `pandas.DataFrame` from the Database :\n   ```python\n   from aiida.orm import QueryBuilder\n   df_node = QueryBuilder().append(PandasFrameData).first()[0]\n   df = df_node.df #The df property reconstructs the pandas DataFrame\n   print(df.head())\n   ```\n\n## Installation\n\n```shell\npip install aiida-dataframe\nverdi quicksetup  # better to set up a new profile\nverdi plugin list aiida.data  # should now show your data plugins\n```\n\n## Usage\n\nThe plugin also includes verdi commands to inspect its data types:\n```shell\nverdi data dataframe list\nverdi data dataframe export \u003cPK\u003e\nverdi data dataframe show \u003cPK\u003e\n```\n\n## Development\n\n```shell\ngit clone https://github.com/janssenhenning/aiida-dataframe .\ncd aiida-dataframe\npip install --upgrade pip\npip install -e .[pre-commit,testing]  # install extra dependencies\npre-commit install  # install pre-commit hooks\npytest -v  # discover and run all tests\n```\n\nSee the [developer guide](http://aiida-dataframe.readthedocs.io/en/latest/developer_guide/index.html) for more information.\n\n## License\n\nMIT\n## Contact\n\nhenning.janssen@gmx.net\n\n\n[ci-badge]: https://github.com/janssenhenning/aiida-dataframe/workflows/ci/badge.svg?branch=main\n[ci-link]: https://github.com/janssenhenning/aiida-dataframe/actions\n[cov-badge]: https://codecov.io/gh/janssenhenning/aiida-dataframe/branch/main/graph/badge.svg\n[cov-link]: https://codecov.io/gh/janssenhenning/aiida-dataframe\n[docs-badge]: https://readthedocs.org/projects/aiida-dataframe/badge\n[docs-link]: http://aiida-dataframe.readthedocs.io/\n[pypi-badge]: https://badge.fury.io/py/aiida-dataframe.svg\n[pypi-link]: https://badge.fury.io/py/aiida-dataframe\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fjanssenhenning%2Faiida-dataframe","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fjanssenhenning%2Faiida-dataframe","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fjanssenhenning%2Faiida-dataframe/lists"}