{"id":22901392,"url":"https://github.com/mooerslab/vinacolab","last_synced_at":"2025-06-11T03:14:07.901Z","repository":{"id":165234202,"uuid":"486601608","full_name":"MooersLab/vinacolab","owner":"MooersLab","description":"Data Science class 2022","archived":false,"fork":false,"pushed_at":"2024-05-26T08:53:51.000Z","size":1788,"stargazers_count":2,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-04-01T05:42:19.406Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Jupyter Notebook","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/MooersLab.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":"2022-04-28T13:16:46.000Z","updated_at":"2024-05-26T08:53:54.000Z","dependencies_parsed_at":"2025-02-07T03:41:57.127Z","dependency_job_id":"d737c21a-6a55-4572-b5fd-d78c67a0dfc0","html_url":"https://github.com/MooersLab/vinacolab","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/MooersLab%2Fvinacolab","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MooersLab%2Fvinacolab/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MooersLab%2Fvinacolab/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MooersLab%2Fvinacolab/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MooersLab","download_url":"https://codeload.github.com/MooersLab/vinacolab/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MooersLab%2Fvinacolab/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":259189819,"owners_count":22819096,"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":[],"created_at":"2024-12-14T01:33:13.894Z","updated_at":"2025-06-11T03:14:07.862Z","avatar_url":"https://github.com/MooersLab.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"![Version](https://img.shields.io/static/v1?label=vinacolab=\u0026message=0.2\u0026color=brightcolor)\n[![License: MIT](https://img.shields.io/badge/License-MIT-blue.svg)](https://opensource.org/licenses/MIT)\n\n\n# AutoDock Vina in Colab\n\nThis is an example of utilizing AutoDock Vina for molecular docking in the cloud.\nThe Jupyter notebook provided here runs on Google Colab.\nThe first code blocks install the required software.\n\nYou need a Google Drive with some free space to run a Colab notebook.\nA Google Drive of 10 GB is provided to you when you open up a Google account (i.e., a Gmail account).\n\nClick on the Colab badge to the right to open the notebook`April28sbddRanInClass.ipynb` on Colab:\n[![Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Mooerslab/vinacolab/blob/master/April28sbddRanInClass.ipynb)\n\nClick on the Colab badge to the right to open the notebook sent before class `April28sbddV2`:\n[![Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Mooerslab/vinacolab/blob/master/April28sbddV2.ipynb)\n\n## Update history\n\n|Version      | Changes                                                                                                                                                                         | Date                 |\n|:-----------:|:------------------------------------------------------------------------------------------------------------------------------------------:|:--------------------:|\n| Version 0.2 |   Added badges, funding, and update table.                                                                                                                  | 2024 May 24         |\n| Version 0.2.1 |   Expanded the description in the README.md.                                                                                                                 | 2024 May 26        |\n\n## Sources of funding\n\n- NIH: R01 CA242845\n- NIH: R01 AI088011\n- NIH: P30 CA225520 (PI: R. Mannel)\n- NIH: P20 GM103640 and P30 GM145423 (PI: A. West)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmooerslab%2Fvinacolab","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmooerslab%2Fvinacolab","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmooerslab%2Fvinacolab/lists"}