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: about 1 year 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 (over 3 years ago)
• Default Branch: main
• Last Pushed: 2025-03-24T05:18:18.000Z (about 1 year ago)
• Last Synced: 2025-04-11T22:51:33.125Z (about 1 year 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
• Metadata Files:
  • Readme: README.md
  • License: LICENSE
  • Citation: citation.cff

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