Skip to content
This repository has been archived by the owner on Sep 11, 2023.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
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

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
ProTip! Mix and match filters to narrow down what you’re looking for.