Welcome to AiiDAlab’s documentation!#

AiiDAlab is a web platform that enables computational scientists to package scientific workflows and computational environments into “apps” and to share those apps with their collaborators and peers.

AiiDAlab builds on AiiDA as the computational workflow engine, and the Jupyter environment (notebooks, widgets, …) for writing and sharing apps.

AiiDAlab is open-source, released under the MIT license, and available on GitHub.

The documentation is build from repository aiidalab/aiidalab which is the package for tools and utilities for AiiDAlab the API documentation is in Reference.

More development/user guide links, can be found in AiiDAlab’s GitHub page.

Need support?

For any questions, discussions and requests for support, please visit the Discourse forum.

How to cite#

Users of AiiDAlab are kindly asked to cite the following publication in their own work:

    1. Yakutovich et al., Comp. Mat. Sci. 188, 110165 (2021). DOI:10.1016/j.commatsci.2020.110165


This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation, as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.

Indices and tables#