https://github.com/isayev/ASE_ANI

ANI-1 neural net potential with python interface (ASE)
https://github.com/isayev/ASE_ANI

cheminformatics chemistry deep-learning force-field neural-network schrodinger-equation

Last synced: 3 months ago
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ANI-1 neural net potential with python interface (ASE)

• Host: GitHub
• URL: https://github.com/isayev/ASE_ANI
• Owner: isayev
• License: mit
• Created: 2016-12-08T05:09:32.000Z (almost 8 years ago)
• Default Branch: master
• Last Pushed: 2024-03-11T21:50:26.000Z (8 months ago)
• Last Synced: 2024-04-09T03:24:10.649Z (7 months ago)
• Topics: cheminformatics, chemistry, deep-learning, force-field, neural-network, schrodinger-equation
• Language: Python
• Homepage:
• Size: 226 MB
• Stars: 217
• Watchers: 33
• Forks: 60
• Open Issues: 18
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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