alchemistry / alchemlyb

the simple alchemistry library
https://alchemlyb.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Enable MBAR to do bootstrap error estimation #322

Closed xiki-tempula closed 1 year ago

xiki-tempula commented 1 year ago

Implement #320

codecov[bot] commented 1 year ago

Codecov Report

Merging #322 (b887659) into master (ef74784) will increase coverage by 0.00%. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master     #322   +/-   ##
=======================================
  Coverage   98.75%   98.75%           
=======================================
  Files          27       27           
  Lines        1762     1767    +5     
  Branches      388      389    +1     
=======================================
+ Hits         1740     1745    +5     
  Misses          2        2           
  Partials       20       20           
Impacted Files Coverage Δ
src/alchemlyb/estimators/mbar_.py 100.00% <100.00%> (ø)
src/alchemlyb/workflows/abfe.py 99.67% <100.00%> (+<0.01%) :arrow_up: