choderalab msm-pipeline issues

choderalab / msm-pipeline

A pipeline for MSMs.

GNU Lesser General Public License v3.0

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issues

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Removed travis CI config file

#43 mikemhenry closed 2 years ago
0
Error with parallelization

#42 sonyahanson opened 6 years ago
1
Save all the things

#41 sonyahanson opened 7 years ago
0
added SASA featurizer

#40 sonyahanson opened 7 years ago
4
Fix devtools install script

#39 jchodera closed 7 years ago
0
Assert dtraj lengths are consistent with inputs

#38 maxentile opened 7 years ago
9
Adopt Frank Noé's suggestions

#37 maxentile opened 7 years ago
2
ValueError even with staged trajectories.

#36 sonyahanson closed 7 years ago
5
Align macrostate PDBs

#35 maxentile closed 7 years ago
5
pyemma downgraded when using conda install --yes --use-local msmpipeline

#34 sonyahanson opened 7 years ago
7
`patchelf` dependency for linux?

#33 sonyahanson opened 7 years ago
1
Add fixed-lag implied timescales plot

#32 maxentile closed 7 years ago
1
Align and avoid renumbering PDB files generated by pipeline

#31 jchodera opened 7 years ago
0
Change command-line options and add feature specification

#30 jchodera closed 7 years ago
6
Support multiple feature choices

#29 jchodera opened 7 years ago
0
Update coarse-grain

#28 maxentile closed 7 years ago
5
Use docopt instead of positional cli arguments

#27 maxentile opened 7 years ago
0
Chapman-Kolmogorov validation

#26 jchodera opened 7 years ago
4
Lumping strategy

#25 jchodera opened 7 years ago
4
Read timestep instead of hard-coding it

#24 maxentile closed 7 years ago
3
Src/Abl experiment

#23 jchodera opened 7 years ago
2
Alanine dipeptide data looks problematic

#22 jchodera opened 7 years ago
8
Get time interval from trajectory files

#21 jchodera closed 7 years ago
3
Fix travis test paths

#20 jchodera closed 7 years ago
2
Devtools

#19 maxentile closed 7 years ago
8
AssertionError error running `test_report_generation.py`

#18 sonyahanson opened 7 years ago
4
Add quick_model option + print time

#17 maxentile closed 7 years ago
3
Unpack correct number of values

#16 maxentile closed 7 years ago
0
Too many values to unpack in 'test_report_generation.py'

#15 sonyahanson closed 7 years ago
2
added default project_name

#14 sonyahanson closed 7 years ago
3
Getting more errors running `pipeline.py` on trajectories saved in `munged3`

#13 sonyahanson opened 8 years ago
7
Assertion Error (expecting symmetric matrix) only happening for some MSMs?

#12 sonyahanson opened 8 years ago
7
problem with array dimension broadcasting running `msm-pipeline`

#11 sonyahanson closed 8 years ago
3
Clean-up

#10 maxentile closed 8 years ago
0
[WIP] Add Travis

#9 maxentile closed 7 years ago
8
fixed a typo in my branch

#8 steven-albanese closed 8 years ago
6
Inline documentation

#7 maxentile closed 8 years ago
3
Fixing a bug and adding a shell script

#6 steven-albanese closed 8 years ago
7
Ensure basic functionality with examples

#5 sonyahanson opened 8 years ago
3
Update structure to be more full featured

#4 sonyahanson opened 8 years ago
0
updated README

#3 sonyahanson closed 8 years ago
0
issue with pickling tica object

#2 sonyahanson opened 8 years ago
1
[WIP] Kinase pipeline

#1 maxentile closed 8 years ago
1