Marjan Albooyeh, Chris Jones, Rainier Barrett, Eric Jankowski
{"title":"FlowerMD: Flexible Library of Organic Workflows and\nExtensible Recipes for Molecular Dynamics","authors":"Marjan Albooyeh, Chris Jones, Rainier Barrett, Eric Jankowski","doi":"10.21105/joss.05989","DOIUrl":null,"url":null,"abstract":"flowerMD is a package for reproducibly performing multi-stage HOOMD-blue (Anderson et al., 2020) simulation workflows. It enables the programmatic specification of tasks including definition of molecular structures, forcefield definition and application and chaining together simulation stages (e","PeriodicalId":16635,"journal":{"name":"Journal of open source software","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of open source software","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.21105/joss.05989","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
flowerMD is a package for reproducibly performing multi-stage HOOMD-blue (Anderson et al., 2020) simulation workflows. It enables the programmatic specification of tasks including definition of molecular structures, forcefield definition and application and chaining together simulation stages (e
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
