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 2 months ago
JSON representation

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 (almost 2 years ago)
• Default Branch: main
• Last Pushed: 2024-05-20T02:59:48.000Z (8 months ago)
• Last Synced: 2024-05-20T23:59:07.529Z (8 months 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: 10.6 MB
• Stars: 198
• Watchers: 4
• Forks: 50
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE
  • Citation: citation.cff

Awesome Lists containing this project

• best-of-atomistic-machine-learning - GitHub - 4% open · ⏱️ 16.11.2024): (Universal Potentials)