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: 3 days 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 (over 3 years ago)
• Default Branch: main
• Last Pushed: 2025-04-22T13:10:21.000Z (14 days ago)
• Last Synced: 2025-04-22T14:25:17.542Z (14 days ago)
• Topics: collective-variables, data-driven, enhanced-sampling, machine-learning, python
• Language: Python
• Homepage:
• Size: 99.4 MB
• Stars: 105
• Watchers: 5
• Forks: 28
• Open Issues: 17
• 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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