https://github.com/choderalab/yank-benchmark
Standard experimental accuracy benchmark set for YANK.
https://github.com/choderalab/yank-benchmark
alchemical-free-energy benchmark benchmark-set free-energy-calculations molecular-dynamics yank
Last synced: 5 months ago
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Standard experimental accuracy benchmark set for YANK.
- Host: GitHub
- URL: https://github.com/choderalab/yank-benchmark
- Owner: choderalab
- Created: 2017-08-07T17:04:14.000Z (almost 9 years ago)
- Default Branch: master
- Last Pushed: 2019-07-24T02:02:41.000Z (almost 7 years ago)
- Last Synced: 2025-09-10T02:30:32.340Z (9 months ago)
- Topics: alchemical-free-energy, benchmark, benchmark-set, free-energy-calculations, molecular-dynamics, yank
- Language: Jupyter Notebook
- Homepage: http://getyank.org
- Size: 29.6 MB
- Stars: 8
- Watchers: 8
- Forks: 3
- Open Issues: 2
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Metadata Files:
- Readme: README.md