{"id":15018309,"url":"https://github.com/keiserlab/e3fp","last_synced_at":"2025-05-16T07:07:08.911Z","repository":{"id":20792106,"uuid":"42539636","full_name":"keiserlab/e3fp","owner":"keiserlab","description":"3D molecular fingerprints ","archived":false,"fork":false,"pushed_at":"2025-02-04T10:15:34.000Z","size":9312,"stargazers_count":129,"open_issues_count":16,"forks_count":36,"subscribers_count":20,"default_branch":"master","last_synced_at":"2025-05-10T00:42:04.455Z","etag":null,"topics":["3d","cheminformatics","e3fp","fingerprint","molecular","python"],"latest_commit_sha":null,"homepage":"","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"lgpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/keiserlab.png","metadata":{"files":{"readme":"README.rst","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":"2015-09-15T18:51:18.000Z","updated_at":"2025-04-20T15:45:53.000Z","dependencies_parsed_at":"2024-12-15T17:03:44.099Z","dependency_job_id":"8758aeee-94a0-4a63-9c92-d798d8b5e3fa","html_url":"https://github.com/keiserlab/e3fp","commit_stats":{"total_commits":305,"total_committers":6,"mean_commits":"50.833333333333336","dds":0.03934426229508192,"last_synced_commit":"fdf1417107803eb1453181dda56d8e7888affaa1"},"previous_names":[],"tags_count":9,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/keiserlab%2Fe3fp","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/keiserlab%2Fe3fp/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/keiserlab%2Fe3fp/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/keiserlab%2Fe3fp/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/keiserlab","download_url":"https://codeload.github.com/keiserlab/e3fp/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":254485065,"owners_count":22078767,"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":["3d","cheminformatics","e3fp","fingerprint","molecular","python"],"created_at":"2024-09-24T19:51:48.890Z","updated_at":"2025-05-16T07:07:03.895Z","avatar_url":"https://github.com/keiserlab.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"E3FP: Extended 3-Dimensional FingerPrint\n========================================\n\n|Docs Status| |CI Status| |Codecov Status| |PyPi Version| |Conda Version| |License|\n\nE3FP [1]_ is a 3D molecular fingerprinting method inspired by Extended\nConnectivity FingerPrints (ECFP) [2]_, integrating tightly with the RDKit_.\n\nDocumentation is hosted by ReadTheDocs_, and development occurs on GitHub_.\n\nInstallation and Usage\n----------------------\n\nFor installation and usage instructions, see the\n`documentation \u003chttp://e3fp.readthedocs.io\u003e`__.\n\nSee the E3FP `paper repository`_ for an application of E3FP and all code used\nfor the E3FP paper [1]_.\n\nLicense\n-------\n\nE3FP is available under the `GNU Lesser General Public License version 3.0\n\u003chttps://www.gnu.org/licenses/lgpl.html\u003e`_ (LGPLv3). See the\n`documentation \u003chttp://e3fp.readthedocs.io/en/latest/overview.html#license\u003e`__\nfor more details.\n\n\nReferences\n----------\n\n.. [1] |axen2017|\n.. [2] |rogers2010|\n\n.. substitutions\n\n.. _RDKit: http://www.rdkit.org\n.. _GitHub: https://github.com/keiserlab/e3fp\n.. _paper repository: https://github.com/keiserlab/e3fp-paper\n.. _ReadTheDocs: http://e3fp.readthedocs.io\n.. |axen2017_doi| image:: https://img.shields.io/badge/doi-10.1021/acs.jmedchem.7b00696-blue.svg\n    :target: http://dx.doi.org/10.1021/acs.jmedchem.7b00696\n    :alt: Access the paper\n.. |axen2017| replace:: Axen SD, Huang XP, Caceres EL, Gendelev L, Roth BL, Keiser MJ. A Simple Representation Of Three-Dimensional Molecular Structure. *J. Med. Chem.* **60** (17): 7393–7409 (2017). |axen2017_doi| |bioRxiv|\n.. |rogers2010_doi| image:: https://img.shields.io/badge/doi-10.1021/ci100050t-blue.svg\n    :target: http://dx.doi.org/10.1021/ci100050t\n    :alt: Access the paper\n.. |rogers2010| replace:: Rogers D \u0026 Hahn M. Extended-connectivity fingerprints. *J. Chem. Inf. Model.* **50**: 742-54 (2010). |rogers2010_doi|\n.. |CI Status| image:: https://github.com/keiserlab/e3fp/actions/workflows/ci.yml/badge.svg\n   :target: https://github.com/keiserlab/e3fp/actions?query=workflow%3ACI\n   :alt: CI Status\n.. |Docs Status| image:: http://readthedocs.org/projects/e3fp/badge/?version=latest\n   :target: http://e3fp.readthedocs.io/en/latest/?badge=latest\n   :alt: Documentation Status\n.. |Codecov Status| image:: https://codecov.io/github/keiserlab/e3fp/coverage.svg?branch=master\n   :target: https://codecov.io/github/keiserlab/e3fp?branch=master\n   :alt: Code Coverage\n.. |PyPi Version| image:: https://img.shields.io/pypi/v/e3fp.svg\n   :target: https://pypi.python.org/pypi/e3fp\n   :alt: Package on PyPi\n.. |Conda Version| image:: https://img.shields.io/conda/v/conda-forge/e3fp.svg\n   :target: https://anaconda.org/conda-forge/e3fp\n   :alt: Package on Anaconda\n.. |License| image:: https://img.shields.io/badge/license-LGPLv3-blue.svg\n   :target: https://github.com/keiserlab/e3fp/blob/master/LICENSE.txt\n.. |bioRxiv| image:: https://img.shields.io/badge/bioRxiv-136705-blue.svg\n    :target: https://doi.org/10.1101/136705\n    :alt: Access the preprint on bioRxiv\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fkeiserlab%2Fe3fp","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fkeiserlab%2Fe3fp","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fkeiserlab%2Fe3fp/lists"}