https://github.com/CederGroupHub/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://github.com/CederGroupHub/chgnet
atomistic-simulations charge-distribution charge-transport computational-materials-science force-fields graph-neural-networks machine-learning
Last synced: 3 days ago
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Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
- Host: GitHub
- URL: https://github.com/CederGroupHub/chgnet
- Owner: CederGroupHub
- License: other
- Created: 2023-02-24T23:44:24.000Z (about 2 years ago)
- Default Branch: main
- Last Pushed: 2025-03-24T05:18:18.000Z (about 1 month ago)
- Last Synced: 2025-04-11T22:51:33.125Z (25 days ago)
- Topics: atomistic-simulations, charge-distribution, charge-transport, computational-materials-science, force-fields, graph-neural-networks, machine-learning
- Language: Python
- Homepage: https://doi.org/10.1038/s42256-023-00716-3
- Size: 13.1 MB
- Stars: 294
- Watchers: 7
- Forks: 77
- Open Issues: 6
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Metadata Files:
- Readme: README.md
- License: LICENSE
- Citation: citation.cff
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