markovmodel/pyemma_tutorials
How to analyze molecular dynamics data with PyEMMA
Jupyter NotebookCC-BY-4.0
Issues
- 0
Error in plot_cktest Function,Maybe the version of Matplotlib Compatibility
#202 opened by yuqingxiong96 - 2
chapman-kolmogorov test Error
#196 opened by sundelinllnl - 0
attribute error while fetching pdb
#201 opened by nagarnoopur - 1
- 2
Issue on clustering after changing the pip installation and trying conda installation
#199 opened by andresilvapimentel - 1
mlags meaning
#197 opened by andresilvapimentel - 5
save_trajs for multiple trajectories
#198 opened by orthonalmatrix - 2
Depending on precomputed models broke CI
#90 opened by cwehmeyer - 2
Error installing PyEMMA
#195 opened by bamal - 8
matplotlib rendering error
#180 opened by marscher - 0
util.contexts.settings not imported
#194 opened by marscher - 0
raw_latex directives can not be converted to mathjax
#193 opened by marscher - 3
- 2
TODOs before ASAP version
#186 opened by cwehmeyer - 11
Specific changes to the manuscript
#171 opened by cwehmeyer - 3
- 2
circleci is taking forever
#177 opened by brookehus - 1
re-build bibliography before resubmission
#157 opened by thempel - 1
Check figures and placement
#161 opened by psolsson - 4
Add basic MSM theory
#136 opened by cwehmeyer - 1
Add pre-rendered notebooks (gist)
#167 opened by psolsson - 3
More detailed workflow description
#147 opened by cwehmeyer - 2
Left vs right eigenvectors
#145 opened by cwehmeyer - 5
Hyperparameter choice: VAMP-2 lagtime
#144 opened by cwehmeyer - 0
Advanced methods section
#154 opened by psolsson - 0
Incomplete TICA usage description in NB 00
#146 opened by cwehmeyer - 0
- 1
Conda package lacks static content
#158 opened by cwehmeyer - 1
Physical meaning of the TICA projection
#139 opened by cwehmeyer - 5
How to treat large/complex systems
#138 opened by cwehmeyer - 0
Example of a failed CK test
#140 opened by cwehmeyer - 3
Estimation/validation figure
#142 opened by cwehmeyer - 1
Store PDF version of paper in repo?
#132 opened by davidlmobley - 0
launcher not working
#153 opened by cwehmeyer - 6
question regarding dtrajs_concatenated
#135 opened by gokulalgates - 1
Validation scoring using shuffled subsamples
#134 opened by hsidky - 0
Better installation instructions
#141 opened by cwehmeyer - 0
Missing links/references and other minor changes
#137 opened by cwehmeyer - 0
Analysis and network figures
#143 opened by cwehmeyer - 1
Accompanying image
#129 opened by cwehmeyer - 3
Citations in notebooks
#105 opened by marscher - 5
more feedback on the tutorials
#115 opened by brookehus - 4
conda install & running produces error
#110 opened by brookehus - 0
- 3
Seminar feedback
#100 opened by cwehmeyer - 3
- 3
- 4
Comments on the 00-showcase notebook
#97 opened by cwehmeyer - 1
[00] add_distances periodic boundaries
#103 opened by thempel - 1
README troubleshooting
#96 opened by cwehmeyer