{ "info": { "author": "David Dotson", "author_email": "dotsdl@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Science/Research", "License :: OSI Approved :: BSD License", "Programming Language :: Python", "Topic :: Scientific/Engineering" ], "description": "alchemtest: the simple alchemistry test set\n===========================================\n\n|doi| |docs|\n\n**alchemtest** is a collection of test datasets for alchemical free energy calculations.\nThe datasets come from a variety of software packages, primarily molecular\ndynamics engines, and are used as the test set for `alchemlyb`_.\nThe package is standalone, however, and can be used for any purpose.\n\nDatasets are released under an `open license`_ that conforms to the\n`Open Definition 2.1`_ that allows free use, re-use, redistribution,\nmodification, separation, for any purpose and without a charge.\n\n\n.. _`alchemlyb`: https://github.com/alchemistry/alchemlyb\n.. _`open license`:\n http://opendefinition.org/licenses/#recommended-conformant-licenses\n.. _`Open Definition 2.1`: http://opendefinition.org/od/2.1/en/\n\n\n.. |docs| image:: https://readthedocs.org/projects/alchemtest/badge/?version=latest\n :alt: Documentation\n :scale: 100%\n :target: https://alchemtest.readthedocs.io/en/latest/\n\n.. |doi| image:: https://zenodo.org/badge/83470847.svg\n :alt: Zenodo DOI\n :scale: 100%\n :target: https://zenodo.org/badge/latestdoi/83470847", "description_content_type": "", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "", "keywords": "", "license": "BSD", "maintainer": "", "maintainer_email": "", "name": "alchemtest", "package_url": "https://pypi.org/project/alchemtest/", "platform": "", "project_url": "https://pypi.org/project/alchemtest/", "project_urls": null, "release_url": "https://pypi.org/project/alchemtest/0.3.0/", "requires_dist": null, "requires_python": "", "summary": "the simple alchemistry test set", "version": "0.3.0" }, "last_serial": 5637431, "releases": { "0.1.0": [ { "comment_text": "", "digests": { "md5": "e0f58ac196fab1917308eb40409cd462", "sha256": "2a4c949cd4d2361104ec10aaa7929c14125498e610899cc6d9a599640ec19ef9" }, "downloads": -1, "filename": "alchemtest-0.1.0-py2.py3-none-any.whl", "has_sig": false, "md5_digest": "e0f58ac196fab1917308eb40409cd462", "packagetype": "bdist_wheel", "python_version": "py2.py3", "requires_python": null, "size": 5729030, "upload_time": "2017-05-27T06:55:29", "url": "https://files.pythonhosted.org/packages/8b/ce/4cd5411800d8b65a880d8bc6d73ce1d1ff564ea54894dfef71a975d39bc3/alchemtest-0.1.0-py2.py3-none-any.whl" }, { "comment_text": "", "digests": { "md5": "719f1be63d1ec6a6fc87e6ce17a975cc", "sha256": "8ce492e904a6286008ef59fc39a242dd907182eaa9e8d22b2ceb8b3c05d1f75d" }, "downloads": -1, "filename": "alchemtest-0.1.0.tar.gz", "has_sig": false, "md5_digest": "719f1be63d1ec6a6fc87e6ce17a975cc", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 5729503, "upload_time": "2017-05-27T06:55:38", "url": "https://files.pythonhosted.org/packages/85/2a/61ca964c52029043908b4aaed21ab91e1752494150b81d8f906257a39e43/alchemtest-0.1.0.tar.gz" } ], "0.3.0": [ { "comment_text": "", "digests": { "md5": "f198c71bf2b0cbee276a4bc688f515f1", "sha256": "20bfe26b39d28680c24d638b44816177beb8ddaaed3178559965c091bd6b946b" }, "downloads": -1, "filename": "alchemtest-0.3.0.tar.gz", "has_sig": false, "md5_digest": "f198c71bf2b0cbee276a4bc688f515f1", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 60589432, "upload_time": "2019-08-06T03:19:38", "url": "https://files.pythonhosted.org/packages/b2/c5/d1782e8652b67926e459082b71276df1d696584cec2733344efd0d8510a9/alchemtest-0.3.0.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "f198c71bf2b0cbee276a4bc688f515f1", "sha256": "20bfe26b39d28680c24d638b44816177beb8ddaaed3178559965c091bd6b946b" }, "downloads": -1, "filename": "alchemtest-0.3.0.tar.gz", "has_sig": false, "md5_digest": "f198c71bf2b0cbee276a4bc688f515f1", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 60589432, "upload_time": "2019-08-06T03:19:38", "url": "https://files.pythonhosted.org/packages/b2/c5/d1782e8652b67926e459082b71276df1d696584cec2733344efd0d8510a9/alchemtest-0.3.0.tar.gz" } ] }