AiiDA-PythonJob

Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, error-resistant, and remote execution capabilities.

Installation

    pip install aiida-pythonjob

To install the latest version from source, first clone the repository and then install using pip:

git clone https://github.com/aiidateam/aiida-pythonjob
cd aiida-pythonjob
pip install -e .

Documentation

Explore the comprehensive documentation to discover all the features and capabilities of AiiDA Workgraph.

License

MIT