{"id":15551407,"url":"https://github.com/redesignscience/alphaspace2","last_synced_at":"2025-07-05T18:34:45.474Z","repository":{"id":47109771,"uuid":"105331178","full_name":"RedesignScience/AlphaSpace2","owner":"RedesignScience","description":"Protein surface topographical mapping tool","archived":false,"fork":false,"pushed_at":"2023-08-17T19:32:20.000Z","size":23532,"stargazers_count":27,"open_issues_count":4,"forks_count":7,"subscribers_count":5,"default_branch":"master","last_synced_at":"2025-04-18T04:55:28.180Z","etag":null,"topics":["jupyter-notebook","protein","python","surface-analysis"],"latest_commit_sha":null,"homepage":"","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"gpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/RedesignScience.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,"zenodo":null}},"created_at":"2017-09-30T01:35:33.000Z","updated_at":"2025-01-02T21:31:09.000Z","dependencies_parsed_at":"2025-04-17T16:10:53.147Z","dependency_job_id":null,"html_url":"https://github.com/RedesignScience/AlphaSpace2","commit_stats":null,"previous_names":["lenhsherr/alphaspace2"],"tags_count":1,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/RedesignScience%2FAlphaSpace2","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/RedesignScience%2FAlphaSpace2/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/RedesignScience%2FAlphaSpace2/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/RedesignScience%2FAlphaSpace2/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/RedesignScience","download_url":"https://codeload.github.com/RedesignScience/AlphaSpace2/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":250507122,"owners_count":21441924,"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":["jupyter-notebook","protein","python","surface-analysis"],"created_at":"2024-10-02T14:04:49.232Z","updated_at":"2025-04-23T20:23:51.168Z","avatar_url":"https://github.com/RedesignScience.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# README\n\n# What is this AlphaSpace2?\nAlphaSpace2 is a surface topographical mapping tool.\nBased on the algorithm of original AlphaSpace published\n[here](http://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00103),\nthe alphaspace2 is a rewritten implementation with multiple new features\nare added for a more friendly user interface and performance boost.\n\nThe documentation can be found at\n\nKey features:\n1. Clear and pythonic object based API for manipulation of pockets, alpha atoms, and communities. \n2. Integrated trajectory loading and interpretation from **mdtraj**.\n3. Create Chimera script for publication quality visualization\n4. Provide new beta score for beta atoms\n\n# Getting started\n\n## Requirements\n```\npython\ncython\nnumpy\nscipy\nmdtraj\n```\n\n## Installation\nYou can install the package with pip command:\n\n```\npip install alphaspace2\n```\n\nTo install the latest version\n\n```\ngit clone https://github.com/lenhsherr/AlphaSpace2.git\\\ncd AlphaSpace2\npip install -e ./\n```\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fredesignscience%2Falphaspace2","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fredesignscience%2Falphaspace2","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fredesignscience%2Falphaspace2/lists"}