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This repository has been archived by the owner on Sep 11, 2023. It is now read-only.

Issues: markovmodel/PyEMMA

57 Open 835 Closed
57 Open 835 Closed
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Issues list

plot_contour colorbar tick labels don't adjust to changes to vmax and vmin
#1615 opened Sep 8, 2023 by marcushock
What is the difference between a working directory and a path?
#1614 opened Aug 28, 2023 by Wencesgiovanni
2
estimating Bayesian MSM very slow
#1613 opened Aug 21, 2023 by H-EKE
4
What should i do when my fraction of sets and counts are less than 1?
#1611 opened Jul 18, 2023 by hima111997
error in notebook 07
#1610 opened Jul 16, 2023 by hima111997
how to use pyemma.plots.plot_cktest with 21 X 21 plot?
#1609 opened Jul 10, 2023 by hima111997
Is it possible to use pyemma.msm.its on the dtrajs after using TICA on the features?
#1608 opened Jul 10, 2023 by hima111997
add_sidechain_torsions produces an error
#1607 opened Jul 10, 2023 by hima111997
pyemma.plots.scatter_contour produce an error
#1606 opened Jul 8, 2023 by hima111997
4 tasks
How to get information from macrostates after constructing MSM in pyemma
#1605 opened Jun 27, 2023 by dulalmondal123
Bayesian Hidden Markov model got an unexpected keyword argument 'desc'
#1604 opened Jun 24, 2023 by ShenWenHuibit
1
Identifying the minimum free energy conformation based on binding energy values between two proteins
#1603 opened Jun 20, 2023 by Chakrabort123
How to extract the pdb for a minimum free energy state from the free energy plot as a function of IC1 and IC2?
#1602 opened Jun 20, 2023 by Chakrabort123
4 tasks
Are Unbiased Trajectories Required for dTRAM PMF profile estimations
#1601 opened Jun 9, 2023 by Cal-JWRW
Detecting the disconnectivity between states and how to deal with it
#1600 opened May 27, 2023 by raylab-projects
How to extract the structures not belonging to the free energy minimum
#1599 opened May 22, 2023 by satyajitkhatua09
1
RuntimeError: XTC read error: Compressed 3d coordinate
#1598 opened May 18, 2023 by Harshitasahni
its showing runtime error
#1597 opened May 18, 2023 by Gourav-Chakraborty
1
Missing dimensions when performing get_output() method
#1595 opened Apr 28, 2023 by meh47336
1
Few basic questions regarding building MSM using pyemma.
#1594 opened Apr 6, 2023 by udnenhsirK
1
Reminder for _progress_register error in mini batch kmenas
#1593 opened Apr 5, 2023 by SianXiaoCHN
Implied timescales calculation hangs with multiprocessing
#1590 opened Mar 21, 2023 by yuxuanzhuang
Minor issue with newest numpy version
#1589 opened Feb 22, 2023 by pitmanme
5
IndexError: index 188 is out of bounds for axis 0 with size 184
#1588 opened Jan 30, 2023 by vas2201
3
numpy.bool removed from numpy --> AttributeError
#1587 opened Jan 23, 2023 by mmfarrugia
4
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