https://github.com/aiidateam/aiida-pythonjob
Run Python functions on a remote computer.
Science Score: 26.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
○CITATION.cff file
-
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
○DOI references
-
○Academic publication links
-
○Committers with academic emails
-
○Institutional organization owner
-
○JOSS paper metadata
-
○Scientific vocabulary similarity
Low similarity (10.4%) to scientific vocabulary
Keywords
Repository
Run Python functions on a remote computer.
Basic Info
- Host: GitHub
- Owner: aiidateam
- License: mit
- Language: Python
- Default Branch: main
- Homepage: https://aiida-pythonjob.readthedocs.io/en/latest/
- Size: 168 KB
Statistics
- Stars: 2
- Watchers: 3
- Forks: 5
- Open Issues: 9
- Releases: 20
Topics
Metadata Files
README.md
AiiDA-PythonJob
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
- Remote Execution: Seamlessly run Python functions on a remote computer.
- User-Friendly: Designed for users who are not familiar with AiiDA, simplifying the process of remote execution.
- Workflow Management: Construct workflows using WorkGraph with checkpoints, ensuring that intermediate states and results are preserved.
- Data Provenance: Maintain comprehensive data provenance, tracking the full history and transformations of data.
Installation
console
pip install aiida-pythonjob
To install the latest version from source, first clone the repository and then install using pip:
console
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 PythonJob.
License
Owner
- Name: AiiDA team
- Login: aiidateam
- Kind: organization
- Website: http://www.aiida.net
- Repositories: 63
- Profile: https://github.com/aiidateam
The development team of AiiDA
GitHub Events
Total
- Create event: 42
- Issues event: 15
- Release event: 17
- Watch event: 1
- Delete event: 17
- Issue comment event: 36
- Push event: 137
- Pull request review comment event: 4
- Pull request review event: 8
- Pull request event: 44
- Fork event: 4
Last Year
- Create event: 42
- Issues event: 15
- Release event: 17
- Watch event: 1
- Delete event: 17
- Issue comment event: 36
- Push event: 137
- Pull request review comment event: 4
- Pull request review event: 8
- Pull request event: 44
- Fork event: 4
Committers
Last synced: about 1 year ago
Top Committers
| Name | Commits | |
|---|---|---|
| superstar54 | x****1@g****m | 38 |
| Ali Khosravi | k****i@g****m | 1 |
Issues and Pull Requests
Last synced: 9 months ago
All Time
- Total issues: 12
- Total pull requests: 48
- Average time to close issues: 4 months
- Average time to close pull requests: about 9 hours
- Total issue authors: 6
- Total pull request authors: 4
- Average comments per issue: 1.17
- Average comments per pull request: 0.9
- Merged pull requests: 42
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 10
- Pull requests: 48
- Average time to close issues: 2 months
- Average time to close pull requests: about 9 hours
- Issue authors: 6
- Pull request authors: 4
- Average comments per issue: 1.0
- Average comments per pull request: 0.9
- Merged pull requests: 42
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- superstar54 (5)
- ahkole (2)
- GeigerJ2 (2)
- mikibonacci (1)
- khsrali (1)
- t-reents (1)
Pull Request Authors
- superstar54 (42)
- mikibonacci (2)
- ahkole (2)
- khsrali (2)
Top Labels
Issue Labels
Pull Request Labels
Dependencies
- actions/checkout v4 composite
- actions/setup-python v5 composite
- codecov/codecov-action v5 composite
- postgres 10 docker
- rabbitmq latest docker
- actions/checkout v3 composite
- actions/setup-python v3 composite
- pypa/gh-action-pypi-publish 27b31702a0e7fc50959f5ad993c78deac1bdfc29 composite
- aiida-core *
- ase *
- furo *
- ipython *
- matplotlib *
- nbsphinx ==0.9.2
- sphinx-gallery *
- sphinx_rtd_theme ==1.2.2
- aiida-core >=2.3,<3
- cloudpickle *
- voluptuous *
- aiida-core
- aiida-core.services