yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations
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0.25.2
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About
Summary
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations
Last Updated
Jan 26, 2021 at 16:10
License
MIT
Total Downloads
46.1K
Supported Platforms
noarch
Home
http://getyank.org/GitHub Repository
https://github.com/choderalab/yankDocumentation
http://getyank.org/