{"id":13686293,"url":"https://github.com/glotzerlab/freud","last_synced_at":"2025-05-15T01:04:33.819Z","repository":{"id":37285230,"uuid":"167217991","full_name":"glotzerlab/freud","owner":"glotzerlab","description":"Powerful, efficient particle trajectory analysis in scientific Python.","archived":false,"fork":false,"pushed_at":"2025-04-09T15:53:52.000Z","size":86176,"stargazers_count":289,"open_issues_count":42,"forks_count":51,"subscribers_count":14,"default_branch":"main","last_synced_at":"2025-04-09T16:31:01.354Z","etag":null,"topics":["analysis","computational-chemistry","computational-physics","data-analysis","molecular-dynamics","monte-carlo-simulation","particle-system","python","science","scientific-computing","spatial-analysis"],"latest_commit_sha":null,"homepage":"https://freud.readthedocs.io","language":"C++","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/glotzerlab.png","metadata":{"files":{"readme":"README.rst","changelog":"ChangeLog.md","contributing":"CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":".github/CODEOWNERS","security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2019-01-23T16:47:33.000Z","updated_at":"2025-04-09T15:53:55.000Z","dependencies_parsed_at":"2023-12-15T22:08:58.301Z","dependency_job_id":"43af3e20-13fb-4e0f-8eac-8570ca2fd684","html_url":"https://github.com/glotzerlab/freud","commit_stats":{"total_commits":7172,"total_committers":58,"mean_commits":"123.65517241379311","dds":0.7405186837702176,"last_synced_commit":"84e0aa1594c729261c3e1c4647d7b255ff75db04"},"previous_names":[],"tags_count":61,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/glotzerlab%2Ffreud","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/glotzerlab%2Ffreud/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/glotzerlab%2Ffreud/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/glotzerlab%2Ffreud/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/glotzerlab","download_url":"https://codeload.github.com/glotzerlab/freud/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248799813,"owners_count":21163398,"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":["analysis","computational-chemistry","computational-physics","data-analysis","molecular-dynamics","monte-carlo-simulation","particle-system","python","science","scientific-computing","spatial-analysis"],"created_at":"2024-08-02T15:00:27.832Z","updated_at":"2025-05-15T01:04:33.810Z","avatar_url":"https://github.com/glotzerlab.png","language":"C++","readme":"=====\nfreud\n=====\n\n|Citing freud|\n|PyPI|\n|conda-forge|\n|ReadTheDocs|\n|Binder|\n|GitHub-Stars|\n\n.. |Citing freud| image:: https://img.shields.io/badge/cite-freud-informational.svg\n   :target: https://freud.readthedocs.io/en/stable/reference/citing.html\n.. |PyPI| image:: https://img.shields.io/pypi/v/freud-analysis.svg\n   :target: https://pypi.org/project/freud-analysis/\n.. |conda-forge| image:: https://img.shields.io/conda/vn/conda-forge/freud.svg\n   :target: https://anaconda.org/conda-forge/freud\n.. |ReadTheDocs| image:: https://readthedocs.org/projects/freud/badge/?version=latest\n   :target: https://freud.readthedocs.io/en/latest/?badge=latest\n.. |Binder| image:: https://mybinder.org/badge_logo.svg\n   :target: https://mybinder.org/v2/gh/glotzerlab/freud-examples/master?filepath=index.ipynb\n.. |GitHub-Stars| image:: https://img.shields.io/github/stars/glotzerlab/freud.svg?style=social\n   :target: https://github.com/glotzerlab/freud\n\nOverview\n========\n\nThe **freud** Python library provides a simple, flexible, powerful set of tools\nfor analyzing trajectories obtained from molecular dynamics or Monte Carlo\nsimulations. High performance, parallelized C++ is used to compute standard\ntools such as radial distribution functions, correlation functions, order\nparameters, and clusters, as well as original analysis methods including\npotentials of mean force and torque (PMFTs) and local environment matching. The\n**freud** library supports\n`many input formats \u003chttps://freud.readthedocs.io/en/stable/topics/datainputs.html\u003e`__\nand outputs `NumPy arrays \u003chttps://numpy.org/\u003e`__, enabling integration\nwith the scientific Python ecosystem for many typical materials science\nworkflows.\n\nResources\n=========\n\n- `Reference Documentation \u003chttps://freud.readthedocs.io/\u003e`__: Examples, tutorials, topic guides, and package Python APIs.\n- `Installation Guide \u003chttps://freud.readthedocs.io/en/stable/gettingstarted/installation.html\u003e`__: Instructions for installing and compiling **freud**.\n- `freud discussion board \u003chttps://github.com/glotzerlab/freud/discussions/\u003e`__: Ask the **freud** user community for help.\n- `GitHub repository \u003chttps://github.com/glotzerlab/freud\u003e`__: Download the **freud** source code.\n- `Issue tracker \u003chttps://github.com/glotzerlab/freud/issues\u003e`__: Report issues or request features.\n\nRelated Tools\n=============\n\n- `HOOMD-blue \u003chttps://hoomd-blue.readthedocs.io/\u003e`__: Perform MD / MC simulations that can be analyzed with **freud**.\n- `signac \u003chttps://signac.readthedocs.io/\u003e`__: Manage your workflow with **signac**.\n\nCitation\n========\n\nWhen using **freud** to process data for publication, please `use this citation\n\u003chttps://freud.readthedocs.io/en/stable/reference/citing.html\u003e`__.\n\n\nInstallation\n============\n\n**freud** is available on conda-forge_ for the *linux-64*, *linux-aarch64*, *linux-ppc64le*,\n*osx-64*, *osx-arm64* and *win-64* architectures. Install with:\n\n.. code:: bash\n\n   mamba install freud\n\n**freud** is also available on PyPI_:\n\n.. code:: bash\n\n   python3 -m pip install freud-analysis\n\n.. _conda-forge: https://conda-forge.org/\n.. _PyPI: https://pypi.org/\n\nIf you need more detailed information or wish to install **freud** from source, please refer to the\n`Installation Guide \u003chttps://freud.readthedocs.io/en/stable/gettingstarted/installation.html\u003e`__ to\ncompile **freud** from source.\n\n\nExamples\n========\n\nThe **freud** library is called using Python scripts. Many core features are\n`demonstrated in the freud documentation\n\u003chttps://freud.readthedocs.io/en/stable/examples.html\u003e`_. The examples come in\nthe form of Jupyter notebooks, which can also be downloaded from the `freud\nexamples repository \u003chttps://github.com/glotzerlab/freud-examples\u003e`_ or\n`launched interactively on Binder\n\u003chttps://mybinder.org/v2/gh/glotzerlab/freud-examples/master?filepath=index.ipynb\u003e`_.\nBelow is a sample script that computes the radial distribution function for a\nsimulation run with `HOOMD-blue \u003chttps://hoomd-blue.readthedocs.io/\u003e`__ and\nsaved into a `GSD file \u003chttps://gsd.readthedocs.io/\u003e`_.\n\n.. code:: python\n\n   import freud\n   import gsd.hoomd\n\n   # Create a freud compute object (RDF is the canonical example)\n   rdf = freud.density.RDF(bins=50, r_max=5)\n\n   # Load a GSD trajectory (see docs for other formats)\n   traj = gsd.hoomd.open('trajectory.gsd', 'rb')\n   for frame in traj:\n       rdf.compute(system=frame, reset=False)\n\n   # Get bin centers, RDF data from attributes\n   r = rdf.bin_centers\n   y = rdf.rdf\n\n\nSupport and Contribution\n========================\n\nPlease visit our repository on `GitHub \u003chttps://github.com/glotzerlab/freud\u003e`__ for the library source code.\nAny issues or bugs may be reported at our `issue tracker \u003chttps://github.com/glotzerlab/freud/issues\u003e`__, while questions and discussion can be directed to our `discussion board \u003chttps://github.com/glotzerlab/freud/discussions/\u003e`__.\nAll contributions to **freud** are welcomed via pull requests!\n","funding_links":[],"categories":["C++"],"sub_categories":[],"project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fglotzerlab%2Ffreud","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fglotzerlab%2Ffreud","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fglotzerlab%2Ffreud/lists"}