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. The AiiDA lab 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, and by swissuniversities.
- Chemical Sciences
Resource availability and languages