https://github.com/alchemistry/alchemtest

the simple alchemistry test set
https://github.com/alchemistry/alchemtest

datasets free-energy molecular-dynamics science

Last synced: 8 months ago
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the simple alchemistry test set

• Host: GitHub
• URL: https://github.com/alchemistry/alchemtest
• Owner: alchemistry
• License: bsd-3-clause
• Created: 2017-02-28T19:27:02.000Z (over 9 years ago)
• Default Branch: master
• Last Pushed: 2025-10-20T20:02:43.000Z (8 months ago)
• Last Synced: 2025-10-20T22:08:18.122Z (8 months ago)
• Topics: datasets, free-energy, molecular-dynamics, science
• Language: Python
• Homepage: https://alchemtest.readthedocs.io
• Size: 117 MB
• Stars: 9
• Watchers: 5
• Forks: 13
• Open Issues: 7
• Metadata Files:
  • Readme: README.rst
  • Contributing: .github/CONTRIBUTING.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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