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: 2 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 (almost 2 years ago)
• Default Branch: main
• Last Pushed: 2023-08-11T16:49:35.000Z (about 1 year ago)
• Last Synced: 2024-07-24T00:16:54.900Z (3 months ago)
• Language: Python
• Homepage:
• Size: 128 KB
• Stars: 6
• Watchers: 6
• Forks: 6
• Open Issues: 2

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