msmbuilder msmbuilder-legacy issues

msmbuilder / msmbuilder-legacy

Legacy release of MSMBuilder

http://msmbuilder.org

GNU General Public License v2.0

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issues

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add entry_point function

#461 autodataming closed 7 years ago
4
RMSD sub-cammand is giving error when using tICA_train.py

#460 asgharrazavi closed 9 years ago
2
Question:How to remove disconnected microstates in MSMbuilder?

#459 zhoushuangyan opened 9 years ago
0
msmb: error: unrecognized arguments (AtomPairsFeaturizer)

#458 braintumor closed 9 years ago
1
Update tICA.py

#457 schwancr closed 9 years ago
0
Conda / Simultaneous MSM2/3 install?

#455 kyleabeauchamp closed 9 years ago
1
first attempt at getting warning to work.

#454 schwancr closed 9 years ago
9
add msmbuilder-legacy docs to msmbuilder.org

#453 schwancr closed 9 years ago
8
Move pandegroup/msmbuilder to msmbuilder/msmbuilder2 (????)

#452 schwancr closed 9 years ago
10
InteractiveSCRE.py is outdated/broken

#451 vvoelz opened 10 years ago
2
Broken reference in FindPaths.py

#450 s-gordon closed 10 years ago
1
[WIP] python3 tests failing

#449 schwancr closed 10 years ago
2
Bugfixes, release, conda

#448 kyleabeauchamp closed 9 years ago
1
SaveRawStructure.py into msmbuilder 2.8

#447 sryckbos opened 10 years ago
1
Bug in BACE_Coarse_Graining.py?

#446 rosmarin opened 10 years ago
0
ImportError: cannot import name io

#445 daviddaileo closed 10 years ago
2
SaveStructures ignores boolean argument --replacement

#444 Trayder opened 10 years ago
0
What are the units of distance in dihedral clustering?

#443 vvoelz opened 10 years ago
2
PCCA contains deprecated method

#442 Zsailer opened 10 years ago
0
Clustering by contacts fails with varying errors

#441 Trayder opened 10 years ago
0
Check for bugs before Omnia Release

#440 kyleabeauchamp closed 9 years ago
1
Use LooseVersion so setup works with dev version of mdtraj

#439 mpharrigan closed 10 years ago
0
Human readable Assignments.h5

#438 chelino85 opened 10 years ago
2
travis failing

#437 schwancr opened 10 years ago
1
entry_point() in script creates a limbo for untested code

#436 schwancr opened 10 years ago
0
bugfix in SampleTrajectory.py

#435 schwancr closed 10 years ago
4
Chapman-Kolmogorov

#434 chelino85 opened 10 years ago
1
Problem with SampleTrajectory

#433 chelino85 closed 10 years ago
3
Bootstrapping on Implied Timescales

#432 s-gordon opened 10 years ago
1
added LigandPMF3D in Extras

#431 mlawrenz opened 10 years ago
0
msm_analysis.sample input matrix types

#430 apeck12 opened 10 years ago
0
[WIP] Tpt2.8: same commits as before but ontop of the newest master.

#429 schwancr opened 10 years ago
0
Clustering with tICA

#428 asgharrazavi closed 10 years ago
5
[WIP] Fix for LPRMSD after mdtraj merge

#427 schwancr opened 10 years ago
23
Using list of states in a file as an input for SaveStructures

#426 diwakarshukla opened 10 years ago
0
CalculateImpliedTimescales.py: Abnormal termination of BFGS likelihood maximization. Error code 2

#425 davidshorthouse opened 10 years ago
2
Use RMSD clustering without alignment?

#424 alexrd opened 10 years ago
0
Fix syntax error

#423 rmcgibbo closed 10 years ago
0
FindPaths io error

#422 apeck12 closed 10 years ago
1
bugfix in contact metric

#421 schwancr closed 10 years ago
5
CalculateImpliedTimeScale failed with "k must be between 1 and ndim(A)-1"

#420 Serilin opened 10 years ago
4
Change warn to warning

#419 mpharrigan closed 10 years ago
0
Pairwise RMSD of a Macro-state MSM network

#418 daviddaileo opened 10 years ago
8
Error using Cluster.py with lprmsd

#417 cxhernandez closed 9 years ago
3
[WIP] Reversible eigenvector bug fix for issue #412

#416 schwancr closed 10 years ago
4
did I fix it?

#415 schwancr closed 10 years ago
1
Bugfix for issue #412 in msmbuilder.msm_analysis.get_reversible_eigenvectors

#414 schwancr closed 10 years ago
3
Section headers don't look like headers in Sphinx theme

#413 kyleabeauchamp opened 10 years ago
2
[BUG] get_reversible_eigenvectors

#412 rmcgibbo closed 10 years ago
6
AttributeError: type object 'RMSD' has no attribute 'TheoData'

#411 cxhernandez closed 9 years ago
2