https://github.com/torchmd/torchmd-net

Neural network potentials
https://github.com/torchmd/torchmd-net

energy-functions equivariant-representations molecular-dynamics neural-networks transformer

Last synced: 3 months ago
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Neural network potentials

• Host: GitHub
• URL: https://github.com/torchmd/torchmd-net
• Owner: torchmd
• License: mit
• Created: 2021-04-09T16:16:32.000Z (over 3 years ago)
• Default Branch: main
• Last Pushed: 2024-04-15T11:19:29.000Z (7 months ago)
• Last Synced: 2024-04-16T02:02:19.896Z (7 months ago)
• Topics: energy-functions, equivariant-representations, molecular-dynamics, neural-networks, transformer
• Language: Python
• Homepage:
• Size: 179 MB
• Stars: 272
• Watchers: 11
• Forks: 64
• Open Issues: 31
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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