Automated reproducible workflows and data provenance with AiiDA

被引:0
|
作者
Sebastiaan P. Huber
机构
[1] École Polytechnique Fédérale de Lausanne,National Centre of Competence in Research (NCCR) MARVEL, National Centre of Competence in Research (NCCR) Catalysis
来源
Nature Reviews Physics | 2022年 / 4卷
关键词
D O I
暂无
中图分类号
学科分类号
摘要
Sebastiaan Huber describes AiiDA, an open source system to manage complex workflows and heterogeneous data.
引用
收藏
页码:431 / 431
相关论文
共 50 条
  • [1] Automated reproducible workflows and data provenance with AiiDA
    Huber, Sebastiaan P.
    [J]. NATURE REVIEWS PHYSICS, 2022, 4 (07) : 431 - 431
  • [2] AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
    Sebastiaan P. Huber
    Spyros Zoupanos
    Martin Uhrin
    Leopold Talirz
    Leonid Kahle
    Rico Häuselmann
    Dominik Gresch
    Tiziano Müller
    Aliaksandr V. Yakutovich
    Casper W. Andersen
    Francisco F. Ramirez
    Carl S. Adorf
    Fernando Gargiulo
    Snehal Kumbhar
    Elsa Passaro
    Conrad Johnston
    Andrius Merkys
    Andrea Cepellotti
    Nicolas Mounet
    Nicola Marzari
    Boris Kozinsky
    Giovanni Pizzi
    [J]. Scientific Data, 7
  • [3] AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
    Huber, Sebastiaan P.
    Zoupanos, Spyros
    Uhrin, Martin
    Talirz, Leopold
    Kahle, Leonid
    Haeuselmann, Rico
    Gresch, Dominik
    Mueller, Tiziano
    Yakutovich, Aliaksandr V.
    Andersen, Casper W.
    Ramirez, Francisco F.
    Adorf, Carl S.
    Gargiulo, Fernando
    Kumbhar, Snehal
    Passaro, Elsa
    Johnston, Conrad
    Merkys, Andrius
    Cepellotti, Andrea
    Mounet, Nicolas
    Marzari, Nicola
    Kozinsky, Boris
    Pizzi, Giovanni
    [J]. SCIENTIFIC DATA, 2020, 7 (01)
  • [4] Provenance, workflows, and crystallographic tools in materials science: AiiDA, spglib, and seekpath
    Pizzi, Giovanni
    Togo, Atsushi
    Kozinsky, Boris
    [J]. MRS BULLETIN, 2018, 43 (09) : 696 - 702
  • [5] Provenance, workflows, and crystallographic tools in materials science: AiiDA, spglib, and seekpath
    Giovanni Pizzi
    Atsushi Togo
    Boris Kozinsky
    [J]. MRS Bulletin, 2018, 43 : 696 - 702
  • [6] A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD
    Merkys, Andrius
    Mounet, Nicolas
    Cepellotti, Andrea
    Marzari, Nicola
    Grazulis, Saulius
    Pizzi, Giovanni
    [J]. JOURNAL OF CHEMINFORMATICS, 2017, 9
  • [7] A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD
    Andrius Merkys
    Nicolas Mounet
    Andrea Cepellotti
    Nicola Marzari
    Saulius Gražulis
    Giovanni Pizzi
    [J]. Journal of Cheminformatics, 9
  • [8] Application of Provenance for Automated and Research Driven Workflows
    Gibson, Tara
    Schuchardt, Karen
    Stephan, Eric
    [J]. PROVENANCE AND ANNOTATION OF DATA AND PROCESSES, 2008, 5272 : 128 - 135
  • [9] Reproducible Workflows for Exploring and Modeling EMA Data
    Yu, Ching-Yun
    Shang, Yi
    Trull, Timothy
    [J]. 2022 IEEE 8TH INTERNATIONAL CONFERENCE ON COLLABORATION AND INTERNET COMPUTING, CIC, 2022, : 117 - 124
  • [10] RESTful Open Workflows for Data Provenance and Reuse
    Eckert, Kai
    Ritze, Dominique
    Baierer, Konstantin
    Bizer, Christian
    [J]. WWW'14 COMPANION: PROCEEDINGS OF THE 23RD INTERNATIONAL CONFERENCE ON WORLD WIDE WEB, 2014, : 259 - 260