Stable release of WESTPA 2.0

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Lillian Chong

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Jul 26, 2022, 3:14:09 PM7/26/22
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Dear WESTPA users,

I am pleased to announce the stable release of WESTPA 2.0!

Key features of WESTPA 2.0 enhance efficiency and ease of use:
  • An adaptive binning scheme for more efficient surmounting of large free energy barriers.
  • Streamlined handling of large simulation data sets.
  • Exponentially improved analysis of kinetics.
  • Developer-friendly tools for creating new WE methods, including a Python API and generalized resampler module for implementing both binned and “binless” WE strategies.

Kudos to the WESTPA developer team for all of their hard work!!

Best wishes,
-Lillian
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