Documentation
Find the right documentation for the AiiDA package you're working with. All docs are hosted on Read the Docs.
aiida-core documentation
The complete reference for the AiiDA framework — installation, configuration, the workflow engine, provenance tracking, the plugin system, and the REST API.
Read the docsPopular documentation
aiida-workgraph
Graph-based workflow builder
Define complex computational graphs with a Python API and interactive GUI. An alternative to WorkChain for visual, node-based workflow design.
Read the docsaiida-shell
Run any shell command with AiiDA
Wrap arbitrary shell commands and executables as AiiDA calculations — no plugin boilerplate needed. Perfect for quick prototyping and one-off jobs.
Read the docsaiida-quantumespresso
Quantum ESPRESSO plugin
Full-featured plugin for Quantum ESPRESSO: pw.x, ph.x, cp.x, and more. Includes robust workflows with automatic error handling and restart logic.
Read the docsaiida-pseudo
Pseudopotential management
Install and manage pseudopotential families for use in AiiDA calculations. Supports SSSP, PseudoDojo, and custom pseudopotential sets.
Read the docsTutorials
Step-by-step guides
Hands-on tutorial materials covering AiiDA fundamentals, plugin development, and workflow design. Used at official AiiDA schools and for self-study.
Read the docsAiiDA How-To Recipes
Common tasks explained
Practical how-to guides from the core documentation covering topics like setting up computers, managing data, writing plugins, and running workflows.
Read the docs