AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows
نویسندگان
چکیده
Cloud platforms allow users to execute tasks directly from their web browser and are a key enabling technology not only for commerce but also computational science. Research software is often developed by scientists with limited experience in (and time for) user interface design, which can make research difficult install use novices. When combined the increasing complexity of scientific workflows (involving many steps packages), setting up environment becomes major entry barrier. AiiDAlab platform that enables package environments share them collaborators peers. By leveraging AiiDA workflow manager its plugin ecosystem, developers get access growing range simulation codes through python API, coupled automatic provenance tracking simulations full reproducibility. Computational be bundled together user-friendly graphical interfaces made available app store. Being fully compatible open-science principles, provides complete infrastructure automated tracking, where incorporating new capabilities intuitive, requiring Python knowledge.
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ژورنال
عنوان ژورنال: Computational Materials Science
سال: 2021
ISSN: ['1879-0801', '0927-0256']
DOI: https://doi.org/10.1016/j.commatsci.2020.110165