Releases: msmbuilder/msmexplorer
MSMExplorer 1.1.0
We're pleased to announce the release of MSMExplorer v1.1.0. This
includes a number of new plots and minor improvements.
New Features
- Added a new function ``plot_stackdist`` that plots stacked distributions
(a.k.a joy plots) of data (#102).
- Added a new function ``plot_implied_timescales`` that accepts a list of msm objects
calculated at different lag times. Returns an implied timescales plot (#90).
- ``plot_free_energy`` now accepts a ``return_data`` flag that will return
the data used for the free energy plot(#78).
- Added a new function ``plot_trace2d`` that plots the time evolution of a 2D numpy array
using a colorbar to map the time (#108).
- Added a new function ``plot_decomp_grid`` that projects a 1D decomposition
onto a 2D grid (#115).
Improvements
-
vmininplot_free_energyis now set to1E-12unless otherwise specialized. -
Add
plot_implied_timescalesexample to theFs-Peptide-Example.ipynbnotebook. Also added some minor
clarifications and explanations (#107).
MSMExplorer 1.0.0
We're pleased to announce the release of MSMExplorer v1.0.0. The focus of this
release are documentation improvements and minor bug fixes.
New Features
plot_free_energynow accepts two extra arguments,cbarand
cbar_kwargsto add a colorbar and control its aesthetics (#73).
Improvements
MSMExplorer 0.3
We're pleased to announce the release of MSMExplorer v0.3.0. The focus of this
release are API improvements and minor bug fixes.
API Changes
side_axinplot_traceis now optional ifaxis provided (#54)legendinplot_tracenow defaults to True iflabelis provided,
otherwise false. It previously always defaulted to True (#54).plot_voronoiaccepts a new parameteralpha(#55).plot_voronoiwill not set axis limits if you specifyax(#55).
Improvements
MSMExplorer 0.2
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
darkslategreyhas been renamed tocarbon(#41).plot_free_energynow supports arandom_stateoption (#40)
New Features
example_datasetshas been added. This allows example datasets to be
pulled from themsmb_datapackage (#41).make_colormaphas been added inmsmexplorer.utils. It creates a
linear colormap from a color palette (#40).msme_colorshas been added inmsmexplorer.utils. It allows any
non-native plotting functions to handle MSMExplorer color strings (#40).
Improvements
MSMExplorer 0.1
This is the first stable version of MSMExplorer
New Features
- Clustering plots:
plot_voronoi - MSM plots:
plot_pop_resids,plot_msm_network,plot_timescales - Projection plots:
plot_free_energy,plot_histogram - TPT plots:
plot_tpaths - Misc. plots:
plot_chord,plot_trace