PyRETIS¶
PyRETIS is a Python library for rare event molecular simulations with emphasis on methods based on transition interface sampling and replica exchange transition interface sampling.
homepage: http://www.pyretis.org
| version | versionsuffix | toolchain |
|---|---|---|
2.1.0 |
-Python-3.6.6 |
intel/2018b |
2.5.0 |
-Python-3.8.2 |
foss/2020a |
2.5.0 |
foss/2020b |
|
2.5.0 |
-Python-3.8.2 |
intel/2020a |
2.5.0 |
intel/2020b |
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