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MSMExplorer 0.2

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@cxhernandez cxhernandez released this 15 Sep 11:25

We're pleased to announce the release of MSMExplorer v0.2.0. The focus of this
release is improving plotting reproducibility and utilities. There is also a
major bugfix for plot_chord and plot_free_energy. We encourage all
users to update to v0.2.0.

API Changes

  • darkslategrey has been renamed to carbon (#41).
  • plot_free_energy now supports a random_state option (#40)

New Features

  • example_datasets has been added. This allows example datasets to be
    pulled from the msmb_data package (#41).
  • make_colormap has been added in msmexplorer.utils. It creates a
    linear colormap from a color palette (#40).
  • msme_colors has been added in msmexplorer.utils. It allows any
    non-native plotting functions to handle MSMExplorer color strings (#40).

Improvements

  • Test coverage is greatly improved (#43)
  • plot_free_energy now produces correct 1-D free energy plots (#43).
  • extract_palette is now more robust (#40).
  • Improve example reproducibility (#40)
  • Fix path vertices problem in plot_chord (#38).