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https://github.com/SCM-NV/qmflows
This library tackles the construction and efficient execution of computational chemistry workflows
https://github.com/SCM-NV/qmflows
automation bioinformatics chemistry materials python-3 quantum-mechanics science scientific-workflows
Last synced: 3 months ago
JSON representation
This library tackles the construction and efficient execution of computational chemistry workflows
- Host: GitHub
- URL: https://github.com/SCM-NV/qmflows
- Owner: SCM-NV
- License: other
- Created: 2016-06-10T11:39:01.000Z (over 8 years ago)
- Default Branch: master
- Last Pushed: 2024-02-01T08:21:42.000Z (9 months ago)
- Last Synced: 2024-07-21T16:20:19.366Z (4 months ago)
- Topics: automation, bioinformatics, chemistry, materials, python-3, quantum-mechanics, science, scientific-workflows
- Language: Python
- Size: 34 MB
- Stars: 44
- Watchers: 9
- Forks: 9
- Open Issues: 4
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Metadata Files:
- Readme: README.rst
- Changelog: CHANGELOG.md
- Contributing: CONTRIBUTING.rst
- License: LICENSE.md
- Code of conduct: CODE_OF_CONDUCT.rst
- Citation: CITATION.cff
Awesome Lists containing this project
- awesome-materials-informatics - QMflows - **Python** library for input generation and task handling in computational chemistry. [![Github Stars](https://img.shields.io/github/stars/SCM-NV/qmflows?style=social)](https://github.com/SCM-NV/qmflows) (Software and products)