{"payload":{"pageCount":1,"repositories":[{"type":"Public","name":"alchemlyb","owner":"alchemistry","isFork":false,"description":"the simple alchemistry library","allTopics":["python","science","library","molecular-dynamics","free-energy"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":6,"issueCount":18,"starsCount":184,"forksCount":49,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-07T15:56:14.887Z"}},{"type":"Public","name":"alchemtest","owner":"alchemistry","isFork":false,"description":"the simple alchemistry test set","allTopics":["science","molecular-dynamics","datasets","free-energy"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":4,"starsCount":9,"forksCount":12,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-03T20:11:05.691Z"}},{"type":"Public","name":"flamel","owner":"alchemistry","isFork":false,"description":"A free energy command line tool using alchemlyb","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":15,"forksCount":3,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-12-11T00:21:47.191Z"}},{"type":"Public","name":"staged-recipes","owner":"alchemistry","isFork":true,"description":"A place to submit conda recipes before they become fully fledged conda-forge feedstocks","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":4728,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-05-27T15:48:17.490Z"}},{"type":"Public","name":"alchemical-best-practices","owner":"alchemistry","isFork":false,"description":"Best practice document for alchemical free energy calculations going to livecoms journal","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":1,"issueCount":9,"starsCount":57,"forksCount":15,"license":"Creative Commons Attribution 4.0 International","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-02-24T04:59:33.942Z"}},{"type":"Public","name":"soft-benchmarks","owner":"alchemistry","isFork":false,"description":"Soft benchmark sets for alchemical free energy calculations, for assessing their accuracy on biomolecular systems","allTopics":[],"primaryLanguage":null,"pullRequestCount":1,"issueCount":1,"starsCount":14,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-03-08T21:09:07.899Z"}},{"type":"Public","name":"fileformat","owner":"alchemistry","isFork":false,"description":"File formats for free energy calculations, molecular simulations, etc. ","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":12,"starsCount":2,"forksCount":2,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2016-10-27T20:14:09.308Z"}},{"type":"Public","name":"benchmarkset","owner":"alchemistry","isFork":false,"description":"Data sets (and discussion) for testing alchemical calculations","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":"GNU Lesser General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2016-05-26T20:50:13.965Z"}}],"repositoryCount":8,"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":"alchemistry repositories"}