Issues

• plot_contour colorbar tick labels don't adjust to changes to vmax and vmin

  markovmodel/PyEMMA#1615 · Filter by author marcushock opened on Sep 8, 2023

• What is the difference between a working directory and a path?

  markovmodel/PyEMMA#1614 · Filter by author Wencesgiovanni opened on Aug 28, 2023
  2

• estimating Bayesian MSM very slow

  markovmodel/PyEMMA#1613 · Filter by author H-EKE opened on Aug 21, 2023
  4

• What should i do when my fraction of sets and counts are less than 1?

  markovmodel/PyEMMA#1611 · Filter by author hima111997 opened on Jul 18, 2023

• error in notebook 07

  markovmodel/PyEMMA#1610 · Filter by author hima111997 opened on Jul 16, 2023

• how to use pyemma.plots.plot_cktest with 21 X 21 plot?

  markovmodel/PyEMMA#1609 · Filter by author hima111997 opened on Jul 10, 2023

• Is it possible to use pyemma.msm.its on the dtrajs after using TICA on the features?

  markovmodel/PyEMMA#1608 · Filter by author hima111997 opened on Jul 10, 2023

• add_sidechain_torsions produces an error

  markovmodel/PyEMMA#1607 · Filter by author hima111997 opened on Jul 10, 2023

• pyemma.plots.scatter_contour produce an error

  markovmodel/PyEMMA#1606 · Filter by author hima111997 opened on Jul 8, 2023

• How to get information from macrostates after constructing MSM in pyemma

  markovmodel/PyEMMA#1605 · Filter by author dulalmondal123 opened on Jun 27, 2023

• Bayesian Hidden Markov model got an unexpected keyword argument 'desc'

  markovmodel/PyEMMA#1604 · Filter by author WenHuiShen-Bio opened on Jun 24, 2023
  1

• Identifying the minimum free energy conformation based on binding energy values between two proteins

  markovmodel/PyEMMA#1603 · Filter by author Chakrabort123 opened on Jun 20, 2023

• How to extract the pdb for a minimum free energy state from the free energy plot as a function of IC1 and IC2?

  markovmodel/PyEMMA#1602 · Filter by author Chakrabort123 opened on Jun 20, 2023

• Are Unbiased Trajectories Required for dTRAM PMF profile estimations

  markovmodel/PyEMMA#1601 · Filter by author Cal-JWRW opened on Jun 9, 2023

• Detecting the disconnectivity between states and how to deal with it

  markovmodel/PyEMMA#1600 · Filter by author raylab-projects opened on May 27, 2023

• How to extract the structures not belonging to the free energy minimum

  markovmodel/PyEMMA#1599 · Filter by author satyajitkhatua09 opened on May 22, 2023
  1

• RuntimeError: XTC read error: Compressed 3d coordinate

  markovmodel/PyEMMA#1598 · Filter by author Harshitasahni opened on May 18, 2023

• its showing runtime error

  markovmodel/PyEMMA#1597 · Filter by author Gourav-Chakraborty opened on May 18, 2023
  1

• Missing dimensions when performing get_output() method

  markovmodel/PyEMMA#1595 · Filter by author meh47336 opened on Apr 28, 2023
  1

• Few basic questions regarding building MSM using pyemma.

  markovmodel/PyEMMA#1594 · Filter by author udnenhsirK opened on Apr 6, 2023
  1

• Reminder for _progress_register error in mini batch kmenas

  markovmodel/PyEMMA#1593 · Filter by author SianXiaoCHN opened on Apr 5, 2023

• Implied timescales calculation hangs with multiprocessing

  markovmodel/PyEMMA#1590 · Filter by author yuxuanzhuang opened on Mar 21, 2023

• Minor issue with newest numpy version

  markovmodel/PyEMMA#1589 · Filter by author pitmanme opened on Feb 22, 2023
  5

• IndexError: index 188 is out of bounds for axis 0 with size 184

  markovmodel/PyEMMA#1588 · Filter by author vas2201 opened on Jan 30, 2023
  3

• numpy.bool removed from numpy --> AttributeError

  markovmodel/PyEMMA#1587 · Filter by author mmfarrugia opened on Jan 23, 2023
  4