https://github.com/ORNL/Analysis-of-Large-Scale-Molecular-Datasets-with-Python
Distributed computing workflow for generation and analysis of large scale molecular datasets obtained running multi-source multi-fidelity quantum chemical calculations of ground-state and excited-state properties
https://github.com/ORNL/Analysis-of-Large-Scale-Molecular-Datasets-with-Python
Last synced: 4 months ago
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Distributed computing workflow for generation and analysis of large scale molecular datasets obtained running multi-source multi-fidelity quantum chemical calculations of ground-state and excited-state properties
- Host: GitHub
- URL: https://github.com/ORNL/Analysis-of-Large-Scale-Molecular-Datasets-with-Python
- Owner: ORNL
- Created: 2023-01-06T18:09:54.000Z (over 2 years ago)
- Default Branch: main
- Last Pushed: 2023-08-11T16:49:35.000Z (over 1 year ago)
- Last Synced: 2024-07-24T00:16:54.900Z (9 months ago)
- Language: Python
- Homepage:
- Size: 128 KB
- Stars: 6
- Watchers: 6
- Forks: 6
- Open Issues: 2
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