https://github.com/luigibonati/mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations
https://github.com/luigibonati/mlcolvar

collective-variables data-driven enhanced-sampling machine-learning python

Last synced: about 2 months ago
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A unified framework for machine learning collective variables for enhanced sampling simulations

• Host: GitHub
• URL: https://github.com/luigibonati/mlcolvar
• Owner: luigibonati
• License: mit
• Created: 2021-09-21T21:32:04.000Z (about 3 years ago)
• Default Branch: main
• Last Pushed: 2024-06-14T14:38:46.000Z (3 months ago)
• Last Synced: 2024-07-14T20:05:22.334Z (2 months ago)
• Topics: collective-variables, data-driven, enhanced-sampling, machine-learning, python
• Language: Python
• Homepage:
• Size: 97 MB
• Stars: 89
• Watchers: 7
• Forks: 23
• Open Issues: 13
• Metadata Files:
  • Readme: README.md
  • Contributing: docs/contributing.rst
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md
  • Citation: CITATION.cff

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