https://github.com/choderalab/thresholds

Utilities for determining maximum tolerable timesteps. See https://doi.org/10.3390/e20050318
https://github.com/choderalab/thresholds

langevin-dynamics molecular-dynamics nsf-grant-che-1738979 probabilistic-bisection stability-threshold

Last synced: 5 months ago
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Utilities for determining maximum tolerable timesteps. See https://doi.org/10.3390/e20050318

• Host: GitHub
• URL: https://github.com/choderalab/thresholds
• Owner: choderalab
• License: mit
• Created: 2018-02-16T20:05:59.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2021-09-20T20:39:05.000Z (almost 5 years ago)
• Last Synced: 2025-09-10T02:30:27.618Z (10 months ago)
• Topics: langevin-dynamics, molecular-dynamics, nsf-grant-che-1738979, probabilistic-bisection, stability-threshold
• Language: Python
• Homepage:
• Size: 18.6 KB
• Stars: 8
• Watchers: 7
• Forks: 1
• Open Issues: 3
• Metadata Files:
  • Readme: readme.md
  • License: LICENSE

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