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Issues on MSM estimation and validation in Notebook 00

Open Owen2015 opened this issue 10 months ago • 1 comments

When I ran the code block

its = pyemma.msm.its(cluster.dtrajs, lags=50, nits=10, errors='bayes') pyemma.plots.plot_implied_timescales(its, units='ns', dt=0.1);

It show "estimating BayesianMSM: 80%" and I ran it multiple times but it just fluctuated between 50%-90% and never reach 100%.

Can anyone help on this?

Owen2015 avatar Aug 21 '23 06:08 Owen2015

Try this: its = pyemma.msm.its(cluster.dtrajs, lags=50, nits=6, errors="bayes" , n_jobs = 1) pyemma.plots.plot_implied_timescales(its, units='ns', dt=0.1);

n_jobs is ambiguous in this case. Hope this helps.

bsayari10 avatar Dec 28 '23 20:12 bsayari10