{"id":15658887,"url":"https://github.com/rasbt/screenlamp","last_synced_at":"2025-05-05T17:02:27.087Z","repository":{"id":66172074,"uuid":"87368133","full_name":"rasbt/screenlamp","owner":"rasbt","description":"screenlamp is a Python toolkit for hypothesis-driven virtual screening","archived":false,"fork":false,"pushed_at":"2018-03-19T19:31:50.000Z","size":6379,"stargazers_count":22,"open_issues_count":0,"forks_count":11,"subscribers_count":3,"default_branch":"master","last_synced_at":"2025-03-30T22:32:18.945Z","etag":null,"topics":["bioinformatics","computational-biology","computational-chemistry","docking","drug-discovery","ligand-screening","pharmacometrics","python","virtual-screening"],"latest_commit_sha":null,"homepage":"https://psa-lab.github.io/screenlamp","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"apache-2.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/rasbt.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE.txt","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":"2017-04-06T00:18:14.000Z","updated_at":"2023-09-08T17:23:16.000Z","dependencies_parsed_at":null,"dependency_job_id":"e46ed367-6a63-4d02-86c4-2e5038d6bf4f","html_url":"https://github.com/rasbt/screenlamp","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rasbt%2Fscreenlamp","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rasbt%2Fscreenlamp/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rasbt%2Fscreenlamp/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rasbt%2Fscreenlamp/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/rasbt","download_url":"https://codeload.github.com/rasbt/screenlamp/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":252542017,"owners_count":21764907,"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":["bioinformatics","computational-biology","computational-chemistry","docking","drug-discovery","ligand-screening","pharmacometrics","python","virtual-screening"],"created_at":"2024-10-03T13:14:19.342Z","updated_at":"2025-05-05T17:02:27.078Z","avatar_url":"https://github.com/rasbt.png","language":"Python","readme":"\n\u003cimg src=\"docs/sources/images/logo-transparent-bg.png\" alt=\"screenlamp logo\" width=\"75%\"\u003e\n\n\n\n\n![Python 3.6](https://img.shields.io/badge/Python-3.6-orange.svg)\n[![License](https://img.shields.io/badge/License-Apache_v2-orange.svg)](license)\n[![GitHub](https://img.shields.io/badge/Source-GitHub-orange.svg)](license)\n\n### A toolkit for ligand-based virtual screening\n\n\nScreenlamp is a Python package for facilitating ligand-based virtual screening workflows and toolkits with hypothesis-driven filtering steps.\n\n**The official documentation is available at https://psa-lab.github.io/screenlamp.**\n\n\n## About\n\nThe screenlamp toolkit was developed in the [Protein Structure Analysis \u0026 Design Laboratory](http://www.kuhnlab.bmb.msu.edu) at Michigan State University. For additional information about screenlamp, please refer to the accompanying research publication, which is currently under revision:\n\n- Raschka, Sebastian, Anne M. Scott, Nan Liu, Santosh Gunturu, Mar Huertas, Weiming Li, and Leslie A. Kuhn (2018). \"Enabling the hypothesis-driven prioritization of ligand candidates in big databases: \nScreenlamp and its application to GPCR inhibitor discovery for invasive species control\". *Journal of Computer-Aided Molecular Design* 32: 415.  \n[[biorxiv preprint](https://www.biorxiv.org/content/early/2018/01/17/249151)]\n [[Journal article](https://link.springer.com/article/10.1007/s10822-018-0100-7)]\n\n\nScreenlamp is research software and has been made available to other researchers under a permissive [Apache v2 open source license](license). If you use screenlamp in your scientific projects or any derivative work, the authors of the screenlamp software must be acknowledged and the publication listed above should be cited.\n\n\n# Contact\n\nIf you encounter bugs or other technical issues with the screenlamp software package, please send an email to [kuhnlab@msu.edu](mailto:kuhnlab@msu.edu) or use the [Issue Tracker](https://github.com/psa-lab/screenlamp/issues). For questions about the [screenlamp research article](cite/index.html), please contact the publisher or [corresponding author](mailto:kuhnl@msu.edu) directly instead.\n","funding_links":[],"categories":[],"sub_categories":[],"project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frasbt%2Fscreenlamp","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Frasbt%2Fscreenlamp","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frasbt%2Fscreenlamp/lists"}