{"id":19449363,"url":"https://github.com/insilichem/esigen","last_synced_at":"2025-06-15T22:04:49.107Z","repository":{"id":57426937,"uuid":"69170864","full_name":"insilichem/esigen","owner":"insilichem","description":":memo::sparkles: Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io","archived":false,"fork":false,"pushed_at":"2019-01-23T10:12:22.000Z","size":6362,"stargazers_count":20,"open_issues_count":5,"forks_count":1,"subscribers_count":4,"default_branch":"master","last_synced_at":"2024-10-31T21:36:41.581Z","etag":null,"topics":["computational-chemistry","flask","molecular-graphics","publication","pymol","webgl"],"latest_commit_sha":null,"homepage":"http://esigen.herokuapp.com/","language":"JavaScript","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/insilichem.png","metadata":{"files":{"readme":"README.rst","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}},"created_at":"2016-09-25T14:55:56.000Z","updated_at":"2024-03-18T17:18:33.000Z","dependencies_parsed_at":"2022-09-19T06:51:13.644Z","dependency_job_id":null,"html_url":"https://github.com/insilichem/esigen","commit_stats":null,"previous_names":[],"tags_count":5,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/insilichem%2Fesigen","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/insilichem%2Fesigen/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/insilichem%2Fesigen/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/insilichem%2Fesigen/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/insilichem","download_url":"https://codeload.github.com/insilichem/esigen/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":223979733,"owners_count":17235453,"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":["computational-chemistry","flask","molecular-graphics","publication","pymol","webgl"],"created_at":"2024-11-10T16:32:08.358Z","updated_at":"2024-11-10T16:32:49.942Z","avatar_url":"https://github.com/insilichem.png","language":"JavaScript","funding_links":[],"categories":[],"sub_categories":[],"readme":"ESIgen: Supporting information generator\n========================================\n\n|Build Status| |Install with conda| |DOI|\n\nAutomatically generate supporting information documents for your\nChemistry publications online.\n\n.. figure:: docs/img/esigen.gif\n   :alt: Example\n\n\nDocumentation and support\n=========================\n\nLatest documentation is always available at `esigen.readthedocs.io`_.\n\nIf you have problems using ESIgen, feel free to `create an issue`_!\nAlso, make sure to visit our main webpage at `insilichem.com`_.\n\nCitation\n========\n\n|DOI|\n\nESIgen is scientific software, funded by public research grants: Spanish\nMINECO (project CTQ2017-87889-P), Generalitat de Catalunya (project\n2014SGR989), J.R.G.P.: Generalitat de Catalunya (grant 2017FI_B2_00168),\nP.G.O.: Spanish MINECO (grant FPI BES-2015-074190). If you make use of\nESIgen in scientific publications, please cite `our article in JCIM`_.\nIt will help measure the impact of our research and future funding!\n\n::\n\n    @article{doi:10.1021/acs.jcim.7b00714,\n        author = {Rodríguez-Guerra Pedregal, Jaime and Gómez-Orellana, Pablo and Maréchal, Jean-Didier Pierre},\n        title = {ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications},\n        journal = {Journal of Chemical Information and Modeling},\n        year = {2018},\n        doi = {10.1021/acs.jcim.7b00714},\n            note ={PMID: 29506387},\n        URL = {\n                https://doi.org/10.1021/acs.jcim.7b00714\n        },\n        eprint = {\n                https://doi.org/10.1021/acs.jcim.7b00714\n        }\n    }\n\nAcknowledgments\n===============\n\nInspired by `Chauncey Garrett’s collection of scripts`_, this project\nwas conceived as a Python-only CLI attempt at solving the same problem.\nThen more features were added (like markdown reports or image\nrendering), and finally was turned into a online service.\n\nESIgen is possible thanks to great open-source projects:\n\n-  Backend: `CCLib`_, `Jinja`_.\n-  Web UI: `NGL`_, `Flask`_, `requests`_, `HTML5 UP`_, `Dropzone`_,\n   `clipboard.js`_, `FileSaver.js`_, `JSZip`_, `CloudFormatter`_.\n-  CLI: `PyMol`_.\n-  Installer: `Conda Constructor`_.\n\n.. _Conda Constructor: https://github.com/conda/constructor\n.. _esigen.readthedocs.io: https://esigen.readthedocs.io\n.. _create an issue: https://github.com/insilichem/esigen/issues\n.. _insilichem.com: http://www.insilichem.com\n.. _our article in JCIM: https://pubs.acs.org/doi/10.1021/acs.jcim.7b00714\n.. _Chauncey Garrett’s collection of scripts: https://github.com/chauncey-garrett/gaussian-tools\n.. _CCLib: https://github.com/cclib/cclib\n.. _Jinja: http://jinja.pocoo.org/\n.. _NGL: https://github.com/arose/ngl\n.. _Flask: https://github.com/pallets/flask\n.. _requests: http://docs.python-requests.org\n.. _HTML5 UP: https://html5up.net/\n.. _Dropzone: https://github.com/enyo/dropzone\n.. _clipboard.js: https://clipboardjs.com/\n.. _FileSaver.js: https://github.com/eligrey/FileSaver.js/\n.. _JSZip: https://stuk.github.io/jszip/\n.. _CloudFormatter: http://www.cloudformatter.com/CSS2Pdf\n.. _PyMol: https://sourceforge.net/projects/pymol/\n\n.. |Build Status| image:: https://travis-ci.org/insilichem/esigen.svg?branch=master\n   :target: https://travis-ci.org/insilichem/esigen\n.. |Install with conda| image:: https://anaconda.org/insilichem/esigen/badges/downloads.svg\n   :target: https://anaconda.org/InsiliChem/esigen\n.. |DOI| image:: https://img.shields.io/badge/doi-10.1021%2Facs.jcim.7b00714-blue.svg\n   :target: https://pubs.acs.org/doi/10.1021/acs.jcim.7b00714","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Finsilichem%2Fesigen","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Finsilichem%2Fesigen","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Finsilichem%2Fesigen/lists"}