This repository has been archived by the owner on Sep 11, 2023. It is now read-only.
service release
For now all future versions will only support Python 3. #1395
New features:
- msm: for Bayesian MSMs we show an optional progress bar for the counting computation. #1344
- msm: ImpliedTimescales allow to only store timescales and its samples for the purpose of saving memory. #1377
- double_well_discrete: allows the setting of a random seed #1388
Fixes:
- msm: fix connected sets for Bayesian MSMs in case the mincount connectivity (ergodic cutoff) parameter truncated the count matrix. #1343
- plots: fix vmin, vmax keyword arguments for plot_contour(). #1376
- coordinates: forcefully enable checking of coordinates data streaming for invalid (not initialized) data. #1384
- coordinates: for sake of faster strided MD data reading, we now require a version of MDTraj >= 1.9.2 #1391
- coordinates: VAMP: changed default projection vector from right to left, since only the left singular functions induce a kinetic map wrt. the conventional forward propagator, while the right singular functions induce
a kinetic map wrt. the backward propagator. #1394 - coordinates: VAMP: fixed variance cutoff to really include as many dimensions to meet subspace variance criterion. #1397
Contributors: