AiiDA

WORKFLOW SYSTEMS  > AIIDA

AiiDA

A workflow manager for computational science with a strong focus on provenance, performance and extensibility.

Last updated: 16 Jul 2025     |     Release: AiiDA v2.6.4

AiiDA is an open-source Python infrastructure to help researchers with automating, managing, persisting, sharing and reproducing the complex workflows associated with modern computational science and all associated data.


Install

Tutorial

Documentation

Python
227
Forks
491
Stargazers

Execution Environment

User Interfaces
  • Python
  • Command Line
  • REST
Resource Managers
  • Slurm
  • LSF
  • PBS
  • SGE
Transfer Protocols
  • SCP

Terminology
Terminology below follows the definitions established by the Workflows Community Terminology.

Characteristics
Flow
Task
Iterative
Granularity
Functions
Sub-workflows
Executables
Coupling
Loose
Dynamicity
Branches
Runtime Intervention
Domain
Agnostic
Composition
Description
API
Abstraction
Intermediate
Modularity
Hierarchical
Orchestration
Planning
Dynamic
Execution
Runner
Data Management
Transport
File-based
Storage
Shared
Metadata Capture
Anomaly Detection
Provenance
Extensions
Plugins
Caching
Fault Tolerance
HPC Execution

 

AiiDA
https://aiida-core.readthedocs.io
https://github.com/aiidateam/aiida-core
https://x.com/aiidateam
https://www.youtube.com/c/MaterialsCloud

Contributors

sphubergiovannipizzicepellottiszoupanosmuhrinlekahltalirzgreschdDropDchrisjsewellfernandogargiulo1986dev-zerounkcpzCasperWAriccardosabatinidanielhollasphisch124csadorfmbercxmerkysyakutovicharamirezfranciscofagoscinskikhsralidependabot[bot]GeigerJ2zhubonanborellimConradJohnstonelsapassaro