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pymbar 2.1.0-beta

Python implementation of the multistate Bennett acceptance ratio (MBAR) method.

Latest Version: 3.0.dev3

Pymbar (https://simtk.org/home/pymbar) is a library
that provides tools for optimally combining simulations from multiple thermodynamic states using maximum likelihood methods to compute free energies (normalization constants) and expectation values from all of the samples simultaneously.
 
File Type Py Version Uploaded on Size
pymbar-2.1.0-beta.tar.gz (md5) Source 2014-06-10 49KB