msmbuilder mdentropy issues

msmbuilder / mdentropy

Analyze correlated motions in MD trajectories with only a few lines of Python.

MIT License

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issues

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Pandas version 0.23 and newer breaks the shuffle function

#76 jgpattis opened 4 years ago
0
msm_assignments in the example is giving error

#75 MidhunkMadhu opened 6 years ago
0
error during installation

#74 MidhunkMadhu closed 6 years ago
0
How do you define alpha angle,contact and dihedral?

#73 rupeshagarwal opened 6 years ago
0
Mutual Information drops if we included more variables using mutinf

#72 Martin1937 closed 6 years ago
3
Calculate High Dimension Mutual Information Using mdentropy.mutinf

#71 Martin1937 closed 6 years ago
1
Test with example data from McClendon et al. 2009

#70 cxhernandez opened 6 years ago
0
Use faster NN code?

#69 cxhernandez opened 6 years ago
0
Use faster NN code

#68 cxhernandez closed 6 years ago
0
Cite JOSS

#67 cxhernandez closed 6 years ago
0
Default bin size and change bin size for mdentropy.metrics.AlphaAngleMutualInformation

#66 rupeshagarwal closed 6 years ago
1
[ JOSS Review ]

#65 anotherjoshsmith closed 6 years ago
2
Selecting residues when using mdentropy.metrics.AlphaAngleMutualInformation

#64 rupeshagarwal closed 7 years ago
1
v0.3.0

#63 cxhernandez closed 7 years ago
0
Better logo

#62 cxhernandez opened 7 years ago
0
Add JOSS Submission

#61 cxhernandez closed 7 years ago
1
Problem install MDentropy

#60 tharpole-chwy closed 7 years ago
9
Question: Entropy calculation for conformation

#59 MamtaMohan closed 6 years ago
1
Normalized mutual information seems not normalized

#58 jiajiexiao closed 6 years ago
3
direct information

#57 brookehus closed 6 years ago
6
Update install_miniconda.sh

#56 cxhernandez closed 8 years ago
0
MDentropy conda install error: Package not found

#55 MamtaMohan closed 8 years ago
3
Rely on sklearn mutual info and entropy

#54 cxhernandez opened 8 years ago
0
Submit to JOSS

#53 cxhernandez closed 6 years ago
0
Mutual Information with Grassberger/Shuffle Not Matching KNN

#52 cing opened 8 years ago
1
KNN entropy estimation is very precise, but....

#51 cxhernandez closed 8 years ago
2
implement periodic kdtree

#50 cxhernandez opened 8 years ago
0
knn speedup

#49 cxhernandez closed 8 years ago
1
get rid of scripts, make CLI

#48 cxhernandez closed 8 years ago
1
TEnt of discrete variable timeseries. Added example.

#47 evanfeinberg opened 8 years ago
5
add conda-build, docs, cli

#46 cxhernandez closed 8 years ago
0
change to grassberger

#45 cxhernandez closed 8 years ago
0
problematic imports

#44 evanfeinberg closed 8 years ago
5
Create iPython NB of sample use cases

#43 evanfeinberg closed 8 years ago
5
knn entropy seems to be broken

#42 cxhernandez closed 8 years ago
1
health fixes

#41 cxhernandez closed 8 years ago
0
add knn estimators and fix mi implementation

#40 cxhernandez closed 8 years ago
0
type object 'RMSD' has no attribute 'TheoData'

#39 autodataming closed 8 years ago
1
Add methods to automatically select number of bins

#38 cxhernandez closed 6 years ago
0
Make core functions BaseEstimators

#37 cxhernandez opened 8 years ago
0
new release, conda build, and docs

#36 cxhernandez closed 8 years ago
3
amend line in scripts

#35 cxhernandez closed 8 years ago
0
Improve shuffle

#34 cxhernandez closed 8 years ago
5
Contact and Alpha Angle metrics

#33 cxhernandez closed 8 years ago
2
Get the correct dihedral index

#32 cxhernandez closed 8 years ago
0
add adaptive and naive to scripts, change default stride

#31 cxhernandez closed 8 years ago
0
Symbolic entropy

#30 cxhernandez closed 8 years ago
6
Add dihedral option to scripts

#29 cxhernandez closed 8 years ago
0
Take advantage of DataFrames used in Metric

#28 cxhernandez closed 8 years ago
1
DV partitioning seems inconsistent

#27 cxhernandez closed 8 years ago
5