{"id":14977358,"url":"https://github.com/arm61/pylj","last_synced_at":"2025-10-25T17:31:35.541Z","repository":{"id":54446064,"uuid":"119863480","full_name":"arm61/pylj","owner":"arm61","description":"Teaching Utility for Classical Atomistic Simulation.","archived":false,"fork":false,"pushed_at":"2024-08-08T12:21:28.000Z","size":18603,"stargazers_count":30,"open_issues_count":10,"forks_count":21,"subscribers_count":5,"default_branch":"master","last_synced_at":"2025-02-03T12:51:05.825Z","etag":null,"topics":["chemistry","computational-chemistry","computational-physics","education","jupyter-notebook","molecular-dynamics","monte-carlo","physics"],"latest_commit_sha":null,"homepage":"https://pythoninchemistry.org/pylj","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/arm61.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":"CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.md","threat_model":null,"audit":null,"citation":"CITATION.cff","codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2018-02-01T16:38:56.000Z","updated_at":"2024-11-04T06:42:49.000Z","dependencies_parsed_at":"2024-06-20T00:39:08.465Z","dependency_job_id":"444bb7ec-530e-4942-9558-3716d3cbf328","html_url":"https://github.com/arm61/pylj","commit_stats":null,"previous_names":[],"tags_count":26,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Fpylj","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Fpylj/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Fpylj/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Fpylj/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/arm61","download_url":"https://codeload.github.com/arm61/pylj/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":238188524,"owners_count":19430877,"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":["chemistry","computational-chemistry","computational-physics","education","jupyter-notebook","molecular-dynamics","monte-carlo","physics"],"created_at":"2024-09-24T13:55:30.624Z","updated_at":"2025-10-25T17:31:28.763Z","avatar_url":"https://github.com/arm61.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"\u003ca href=\"http://pythoninchemistry.org/pylj\"\u003e\u003cimg src=\"https://github.com/arm61/pylj/blob/master/logo/logo.png?raw=true\" width= \"60%\"/\u003e\u003c/a\u003e\n\n## Visit the [pylj](http://pythoninchemistry.org/pylj) webpage for more information about pylj.\n\nTo build from source:\n\n```python\n\npip install -r requirements.txt\n\npython setup.py build\n\npython setup.py install\n\npython setup.py test\n\n```\nCheck out our publication in the [Journal of Open Source Education](http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d) to find out more about pylj.\n\nBe aware! pylj runs within a [Jupyter notebook](http://jupyter.org/), and therefore requires this to run. We advise installing [anaconda python](https://anaconda.org/) as this includes many required libraries as well as the Jupyter notebooks framework.\n\nIf you need any help using pylj contact arm61 in the [pylj/HELP gitter chatroom](https://gitter.im/pylj/HELP).\n\nCheck out some [examples](https://github.com/arm61/pylj/tree/master/examples) of how pylj can be used in undergraduate teaching exercises.\n\n## Badges\n\n\u003ctable\u003e\n  \u003ctr\u003e\n    \u003ctd\u003eJOSE DOI\u003c/td\u003e\n    \u003ctd\u003e\n      \u003ca href=\"http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d\"\u003e\n      \u003cimg src=\"http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d/status.svg\" alt=\"status\" /\u003e\n      \u003c/a\u003e\n    \u003c/td\u003e\n  \u003c/tr\u003e\n  \u003ctr\u003e\n    \u003ctd\u003eLatest Release\u003c/td\u003e\n    \u003ctd\u003e\n      \u003ca href=\"https://badge.fury.io/py/pylj\"\u003e\n      \u003cimg src=\"https://badge.fury.io/py/pylj.svg\" alt=\"PyPi version\" /\u003e\n      \u003c/a\u003e\n    \u003c/td\u003e\n  \u003c/tr\u003e\n  \u003ctr\u003e\n    \u003ctd\u003e\u003c/td\u003e\n    \u003ctd\u003e\n      \u003ca href=\"https://zenodo.org/badge/latestdoi/119863480\"\u003e\n      \u003cimg src=\"https://zenodo.org/badge/119863480.svg\" alt=\"DOI\" /\u003e\n      \u003c/a\u003e\n    \u003c/td\u003e\n  \u003c/tr\u003e\n  \u003ctr\u003e\n    \u003ctd\u003eDocumentation\u003c/td\u003e\n    \u003ctd\u003e\n      \u003ca href=\"http://pylj.readthedocs.io/en/latest/?badge=latest\"\u003e\n      \u003cimg src=\"https://readthedocs.org/projects/pylj/badge/?version=latest\" alt=\"Documentation Status\" /\u003e\n      \u003c/a\u003e\n    \u003c/td\u003e\n  \u003c/tr\u003e\n  \u003ctr\u003e\n    \u003ctd\u003eLicense\u003c/td\u003e\n    \u003ctd\u003e\n      \u003ca href=\"https://opensource.org/licenses/MIT\"\u003e\n      \u003cimg src=\"https://img.shields.io/badge/License-MIT-yellow.svg\" alt=\"License MIT\" /\u003e\n      \u003c/a\u003e\n    \u003c/td\u003e\n  \u003c/tr\u003e\n  \u003ctr\u003e\n    \u003ctd\u003eBuild Status\u003c/td\u003e\n    \u003ctd\u003e\n      \u003ca href=\"https://github.com/arm61/pylj/actions\"\u003e\n        \u003cimg src=\"https://github.com/arm61/pylj/actions/workflows/ci.yml/badge.svg\" alt=\"Build Status\" /\u003e\n      \u003c/a\u003e\n  \u003c/tr\u003e\n  \u003ctr\u003e\n    \u003ctd\u003eCoverage Status\u003c/td\u003e\n    \u003ctd\u003e\n      \u003ca href=\"https://codeclimate.com/github/arm61/pylj/test_coverage\"\u003e\n        \u003cimg src=\"https://api.codeclimate.com/v1/badges/770882d2010bb099b241/test_coverage\" /\u003e\n      \u003c/a\u003e\n    \u003c/td\u003e\n  \u003c/tr\u003e\n  \u003ctr\u003e\n    \u003ctd\u003eGitter\u003c/td\u003e\n    \u003ctd\u003e\n      \u003ca href=\"https://gitter.im/pylj/Lobby#\"\u003e\n      \u003cimg src=\"https://badges.gitter.im/gitterHQ/gitter.png\" alt=\"Gitter chat\" /\u003e\n      \u003c/a\u003e\n    \u003c/td\u003e\n  \u003c/tr\u003e\n\u003c/table\u003e\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Farm61%2Fpylj","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Farm61%2Fpylj","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Farm61%2Fpylj/lists"}