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markovmodel
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pyemma_tutorials
How to analyze molecular dynamics data with PyEMMA
Creative Commons Attribution 4.0 International
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Revision cw
#151
cwehmeyer
closed
5 years ago
3
First draft of a theory section
#150
brookehus
closed
5 years ago
4
Revision cw
#149
cwehmeyer
closed
5 years ago
1
Systematic hyperparameter space search vs the current sequential approach
#148
cwehmeyer
closed
5 years ago
0
More detailed workflow description
#147
cwehmeyer
closed
5 years ago
3
Incomplete TICA usage description in NB 00
#146
cwehmeyer
closed
5 years ago
0
Left vs right eigenvectors
#145
cwehmeyer
closed
5 years ago
2
Hyperparameter choice: VAMP-2 lagtime
#144
cwehmeyer
closed
5 years ago
5
Analysis and network figures
#143
cwehmeyer
closed
5 years ago
0
Estimation/validation figure
#142
cwehmeyer
closed
5 years ago
3
Better installation instructions
#141
cwehmeyer
closed
5 years ago
0
Example of a failed CK test
#140
cwehmeyer
closed
5 years ago
0
Physical meaning of the TICA projection
#139
cwehmeyer
closed
5 years ago
1
How to treat large/complex systems
#138
cwehmeyer
closed
5 years ago
5
Missing links/references and other minor changes
#137
cwehmeyer
closed
5 years ago
0
Add basic MSM theory
#136
cwehmeyer
closed
5 years ago
4
question regarding dtrajs_concatenated
#135
gokulalgates
closed
5 years ago
6
Validation scoring using shuffled subsamples
#134
hsidky
closed
5 years ago
1
PDF available for download
#133
thempel
closed
6 years ago
6
Store PDF version of paper in repo?
#132
davidlmobley
closed
5 years ago
1
create new logo
#131
thempel
closed
6 years ago
0
Corrections
#130
cwehmeyer
closed
6 years ago
0
Accompanying image
#129
cwehmeyer
closed
6 years ago
1
Corrections
#128
cwehmeyer
closed
6 years ago
4
[00] fig 4 restrict committor x-tick-values
#127
thempel
closed
6 years ago
0
Added citations to notebooks
#126
marscher
closed
6 years ago
2
observable notebook quick revision
#125
thempel
closed
6 years ago
0
Amending figures
#124
cwehmeyer
closed
6 years ago
0
[HMM] fix state indices 1..n
#123
thempel
closed
6 years ago
0
Add Pentapeptide exercises to HMM NB + WIP
#122
thempel
closed
6 years ago
1
[00] use 5 PCCA metastable states [ci skip]
#121
cwehmeyer
closed
6 years ago
0
macrostate numbering
#120
thempel
closed
6 years ago
0
Revision
#119
cwehmeyer
closed
6 years ago
0
Temporary skipping manuscript figure cells in notebook 00
#118
cwehmeyer
closed
6 years ago
0
Corrections
#117
cwehmeyer
closed
6 years ago
0
Wip
#116
thempel
closed
6 years ago
0
more feedback on the tutorials
#115
brookehus
closed
6 years ago
5
Wip
#114
thempel
closed
6 years ago
1
some changes to notebook 00
#113
psolsson
closed
6 years ago
0
added binder files
#112
marscher
closed
6 years ago
0
Corrections
#111
cwehmeyer
closed
6 years ago
0
conda install & running produces error
#110
brookehus
closed
6 years ago
4
Corrections
#109
cwehmeyer
closed
6 years ago
4
some missing units
#108
thempel
closed
6 years ago
0
Revising 00-showcase notebook
#107
cwehmeyer
closed
6 years ago
14
amending figure_1 and removing cktest figure
#106
cwehmeyer
closed
6 years ago
1
Citations in notebooks
#105
marscher
closed
6 years ago
3
properly map test outputs to input notebook cells
#104
marscher
closed
6 years ago
4
[00] add_distances periodic boundaries
#103
thempel
closed
6 years ago
1
[08] limit nits in last its plot, #100
#102
thempel
closed
6 years ago
0
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