diff --git a/README.md b/README.md index d8596b9..54078b1 100644 --- a/README.md +++ b/README.md @@ -4,7 +4,14 @@ [![codecov](https://codecov.io/gh/aiidateam/aiida-pythonjob/branch/main/graph/badge.svg)](https://codecov.io/gh/aiidateam/aiida-pythonjob) [![Docs status](https://readthedocs.org/projects/aiida-pythonjob/badge)](http://aiida-pythonjob.readthedocs.io/) -Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, error-resistant, and remote execution capabilities. +`PythonJob` allows users to run Python functions on a remote computer. It is designed to enable users from non-AiiDA communities to run their Python functions remotely and construct workflows with checkpoints, maintaining all data provenance. For instance, users can use ASE's calculator to run a DFT calculation on a remote computer directly. + +## Key Features + +1. **Remote Execution**: Seamlessly run Python functions on a remote computer. +2. **User-Friendly**: Designed for users who are not familiar with AiiDA, simplifying the process of remote execution. +3. **Workflow Management**: Construct workflows using WorkGraph with checkpoints, ensuring that intermediate states and results are preserved. +4. **Data Provenance**: Maintain comprehensive data provenance, tracking the full history and transformations of data.