{"id":16510398,"url":"https://github.com/arm61/falass","last_synced_at":"2025-08-09T23:34:43.041Z","repository":{"id":91375653,"uuid":"112358527","full_name":"arm61/falass","owner":"arm61","description":"Neutron and X-ray Reflectometry from Computer Simulation","archived":false,"fork":false,"pushed_at":"2018-07-06T13:04:10.000Z","size":4266,"stargazers_count":2,"open_issues_count":0,"forks_count":1,"subscribers_count":2,"default_branch":"master","last_synced_at":"2025-06-05T21:48:46.286Z","etag":null,"topics":["molecular-dynamics","molecular-dynamics-simulation","neutron","reflectivity","reflectometry","simulation","x-ray"],"latest_commit_sha":null,"homepage":"http://people.bath.ac.uk/arm61/falass","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":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":"2017-11-28T16:13:43.000Z","updated_at":"2023-04-13T13:05:07.000Z","dependencies_parsed_at":"2024-08-08T12:50:33.565Z","dependency_job_id":null,"html_url":"https://github.com/arm61/falass","commit_stats":null,"previous_names":[],"tags_count":5,"template":false,"template_full_name":null,"purl":"pkg:github/arm61/falass","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Ffalass","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Ffalass/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Ffalass/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Ffalass/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/arm61","download_url":"https://codeload.github.com/arm61/falass/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/arm61%2Ffalass/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":269653921,"owners_count":24454317,"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","status":"online","status_checked_at":"2025-08-09T02:00:10.424Z","response_time":111,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"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":["molecular-dynamics","molecular-dynamics-simulation","neutron","reflectivity","reflectometry","simulation","x-ray"],"created_at":"2024-10-11T15:55:00.216Z","updated_at":"2025-08-09T23:34:43.014Z","avatar_url":"https://github.com/arm61.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"### falass\n\nfalass is a pure python library for the calculation of neutron and X-ray reflectometry data from molecular simulation. Currently we support pdb trajectories. It is also necessary to know the scattering length of the atoms or beads in your system. For all the elements these can be found freely online. falass will slice your simulation cell into a series of layers and calculate the reflectometry from the Abele matrix formalism. An example Jupyter notebook and dataset is available in the 'example' directory which shows a typical usage of falass.\n\n#### Documentation\n\nAPI-level documentation is available at: [http://falass.readthedocs.io/en/latest/](http://falass.readthedocs.io/en/latest/) \n\n#### Install\n\nEither clone the repository and install with:\n\n```\npip install -r requirements.txt \n\npython setup.py build\n\npython setup.py install \n\npython setup.py test\n```\n\nOr get a build from pip with:\n\n`pip install falass`\n\n[![Build Status](https://travis-ci.org/arm61/falass.svg?branch=0.0.2)](https://travis-ci.org/arm61/falass)\n[![Coverage Status](https://coveralls.io/repos/github/arm61/falass/badge.svg?branch=master)](https://coveralls.io/github/arm61/falass?branch=master)\n[![DOI](https://zenodo.org/badge/112358527.svg)](https://zenodo.org/badge/latestdoi/112358527)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Farm61%2Ffalass","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Farm61%2Ffalass","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Farm61%2Ffalass/lists"}