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We now support computation of bootstrapped uncertainties for MBAR free energies -- just specify n_bootstraps=n_desired_bootstraps when initializing MBAR(), where n_desired_bootstraps is the number of bootstrap iterations you'd like to run, and uncertainty_method='bootstrap' when calling getFreeEnergyDifferences().
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What's New
We now support computation of bootstrapped uncertainties for MBAR free energies -- just specify
n_bootstraps=n_desired_bootstraps
when initializingMBAR()
, wheren_desired_bootstraps
is the number of bootstrap iterations you'd like to run, anduncertainty_method='bootstrap'
when calling getFreeEnergyDifferences().What's Changed
New Contributors
Full Changelog: 3.0.7...3.1
This discussion was created from the release pymbar 3.1 LTS Release.
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