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https://github.com/deepmodeling/DeePTB

DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
https://github.com/deepmodeling/DeePTB

dft hamiltonian machine-learning slater-koster tight-binding

Last synced: 6 days ago
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DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.

Host: GitHub
URL: https://github.com/deepmodeling/DeePTB
Owner: deepmodeling
License: lgpl-3.0
Created: 2023-07-11T03:19:42.000Z (over 1 year ago)
Default Branch: main
Last Pushed: 2024-05-13T08:10:52.000Z (6 months ago)
Last Synced: 2024-05-14T00:06:28.549Z (6 months ago)
Topics: dft, hamiltonian, machine-learning, slater-koster, tight-binding
Language: Python
Homepage:
Size: 99.8 MB
Stars: 31
Watchers: 4
Forks: 12
Open Issues: 9
Metadata Files:
- Readme: README.md
- Contributing: docs/CONTRIBUTING.md
- License: LICENSE