AiiDA
Automated Interactive Infrastructure and Database for Computational Science

AiiDA is a flexible and scalable informatics' infrastructure to manage, preserve, and disseminate the simulations, data, and workflows of modern-day computational science. Able to store the full provenance of each object, and based on a tailored database built for efficient data mining of heterogeneous results, AiiDA gives the user the ability to interact seamlessly with any number of remote HPC resources and codes, thanks to its flexible plugin interface and workflow engine for the automation of complex sequences of simulations.

Journal ref: G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci. 111, 218-230 (2016)

Open access link: arXiv:1504.0116

Posts

AiiDA moves from BitBucket to GitHub

👤 🕔 December 23, 2016 Comments Off on AiiDA moves from BitBucket to GitHub

The AiiDA code has moved as of today from BitBucket, that has hosted the source since its infancy, to GitHub.

While this move might seem inconvenient for users, we felt that the advantages of moving to GitHub were sufficiently important to justify the move.

More details can be found in this post. Please note that from now on, all issues and pull requests should be added on GitHub only.