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Perses-lite and sMC

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@hannahbrucemacdonald hannahbrucemacdonald released this 21 Dec 08:43
0.4.0
ebf3acf

This release:

  • Restructuring of package
  • Improvements to pairwise relative free energy calculations using REPEX
  • New SequentialMonteCarlo class and algorithms for performing non-equilibrium switching
  • Parallelisms for dask, trailblazing, and resampling capabilities

perses-0.4.0.zip
perses-0.4.0.tar.gz

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