CHANGELOG

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CHANGELOG
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0.1.x
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Internal Alpha version
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- Initial implementation of networkx free energy analysis
- Initial implementation of reading experimental data
- Initial implementation of correlating computed free energies and experimental data

0.2.0
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- Added preformatting functionality for free energies from the perturbation graph
- Set standardised file writing and std out printing of free energies

0.2.1
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- added plotting functionality for bar plot and scatter plot
- updated driver script to work with API changes form 0.2.0 release

0.2.2
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- minor fixes

0.3.0
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- std error bug fix
- renaming of some functions

0.3.2
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- minor fixes
- D3R GC 2 version 

0.3.4
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- bug fix for confidence intervals

0.3.5
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- bug fix for symmetrising graph of identical backward and forward simulations

0.4.0
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- pytest testing framework added
- consistent python 3.5+ only support
- updated commandline tool to work with python 3.5+ and API

1.0.0
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- added automated generation of jupyter notebooks
- added support for k_d experimetnal input
- improved documentation

1.0.1
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- bugfix of confidence interavals for statistics computations. 
- API change from stats.Observable_error to stats.Observable_confidence

1.1.0
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- fixed typos
- fixed wrong labelling of x and y axis
- added support for RMSE
- calcualtion of direct statistics on dataset rather than bootstrapping

1.2.0
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- updated plots
- added new way of computing free energies
- improved way of reading in experimental data