Reproducible turn-key workflows for materials science

Materials Cloud
Scientific domain:
Chemical Sciences
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AiiDA is a workflow manager for computational science with a strong focus on provenance and performance. Through its flexible plugin infrastructure, it supports a wide range of simulation codes and makes them available for use through the Python programming language, and automatically records the full provenance of your simulation pipeline in a graph. AiiDAlab lets you run and manage AiiDA-powered workflows through tailored web applications in the browser. Use the App store to pick and install apps from the application registry or write your own in just a few lines of python using jupyter widgets and appmode. This service is supported by the MaX European Centre of Excellence, the MARVEL National Centre for Competence in Research, the European H2020 MarketPlace project, by swissuniversities as well by a number of other partners.

Scientific categorisation
Natural Sciences
  • Natural Sciences
    • Chemical Sciences
  • Compute
    • Other
Target users
  • Researchers
Resource availability and languages
  • English
More about AiiDAlab

The EOSC Portal is operated by the EOSC Enhance (Grant Agreement no. 871160), EOSC-hub (Grant Agreement no. 777536), and OpenAIRE-Advance (Grant Agreement no. 777541) projects funded by the European Union’s Horizon 2020 research and innovation programme.For a complete list of contributors, visit the About EOSC Portal