https://github.com/becksteinlab/beckernels

A repository of radical.ensemblemd kernels used by the Beckstein Lab
https://github.com/becksteinlab/beckernels

Last synced: about 1 month ago
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A repository of radical.ensemblemd kernels used by the Beckstein Lab

• Host: GitHub
• URL: https://github.com/becksteinlab/beckernels
• Owner: Becksteinlab
• Created: 2015-12-16T00:06:19.000Z (over 10 years ago)
• Default Branch: master
• Last Pushed: 2015-12-24T06:33:16.000Z (over 10 years ago)
• Last Synced: 2025-01-06T10:48:28.056Z (over 1 year ago)
• Language: Python
• Size: 11.7 KB
• Stars: 0
• Watchers: 6
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

          
# radical.ensemblemd kernels for the Beckstein Lab

These are custom kernels for use with `radical.ensemblemd` that make use of our own

builds of software such as gromacs on various resources. The package is

not really general-purpose, but is meant to be a shareable grab bag of execution

kernels for various MD tasks.