{"payload":{"pageCount":1,"repositories":[{"type":"Public","name":"BioExcel-UseCase1","owner":"bioexcel","isFork":false,"description":"BioExcel Use Case 1: Antibody design ","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"Creative Commons Attribution 4.0 International","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-08-24T11:41:22.694Z"}},{"type":"Public","name":"2020-10-cp2k_qmmm_intro","owner":"bioexcel","isFork":false,"description":"Course materials for \"Practical Introduction to QM/MM using CP2K for biomolecular modelling\" (<a href=\"https://www.archer2.ac.uk/training/courses/201013-cp2k\" rel=\"nofollow\">https://www.archer2.ac.uk/training/courses/201013-cp2k</a>)","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-06-16T15:22:51.943Z"}},{"type":"Public","name":"2022-02-01-gromacs-on-Discoverer","owner":"bioexcel","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-06-07T11:23:47.651Z"}},{"type":"Public","name":"gmxbench","owner":"bioexcel","isFork":false,"description":"scripts to facilitate GROMACS benchmarking on (PRACE) HPC systems","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-12-17T08:16:47.623Z"}},{"type":"Public","name":"FluProCad-2.0","owner":"bioexcel","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-12-16T08:36:41.810Z"}},{"type":"Public","name":"qmmm_demo_bss2020","owner":"bioexcel","isFork":false,"description":"GMX-CP2K use case demonstration","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-06-25T05:31:19.646Z"}},{"type":"Public","name":"qmmm_use_cases","owner":"bioexcel","isFork":false,"description":"This repository contains CP2K inputs and benchmarking/profiling results for QM-MM simulations of Green Fluorescent Protein (GFP) test cases reported on in BioExcel deliverable D1.1 - Specification of software engineering and QA. Build notes and CP2K arch files are also included.","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-06-24T21:12:58.756Z"}}],"repositoryCount":7,"userInfo":null,"searchable":true,"definitions":[],"typeFilters":[{"id":"all","text":"All"},{"id":"public","text":"Public"},{"id":"source","text":"Sources"},{"id":"fork","text":"Forks"},{"id":"archived","text":"Archived"},{"id":"template","text":"Templates"}],"compactMode":false},"title":"bioexcel repositories"}