AiiDA WorkGraph
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
Key Features
Easy to use: Create workflows by linking the input and output socket of different tasks.
Flexible: Extend (modify) the workflow by adding (editing) tasks and links, or combine multiple workflows together.
Interactive GUI: Visualize and interact with the workflow using the GUI.
Checkpoints: Save the workflow state, and resume the workflow from the last checkpoint.
Provenance: Track the provenance of the workflow.
Remote execution: Execute the task (Python function, Shell command) on a remote machine.
Check this blog post for the comparison between WorkGraph and AiiDA’s WorkChain.
Sections
- Quick Start
A quick start guide to get you up and running with AiiDA WorkGraph.
- Installation
Installation instructions for AiiDA WorkGraph.
- Tutorials
A step-by-step guide to creating a real-world workflow using AiiDA WorkGraph.
- Built-in tasks
Run a Python function, Shell command on a remote computer
- HowTos
How-to guides for AiiDA WorkGraph.
- Concepts
Concepts and terminologies used in AiiDA WorkGraph.
- GUI
Interactive GUI and job menagement of WorkGraph.
- Development
Development guide for AiiDA WorkGraph.
- Gallery
Gallery of workflows created using AiiDA WorkGraph.
- Blogs
Blog posts related to AiiDA WorkGraph.
- Frequently Asked Questions
Frequently asked questions about AiiDA WorkGraph.