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markovmodel
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variational
Basis sets, estimators and solvers for the variational approach of conformation dynamics. NOTE: the code has been merged with PyEMMA and is maintained there.
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to bear in mind...
#51
fabian-paul
closed
7 years ago
12
made Bessel's correction optional
#50
fabian-paul
closed
7 years ago
0
Bessel's correction of covariances is inconsistently combined with mean
#49
fabian-paul
closed
7 years ago
4
[solvers] added option for unique signs in spd_inv_split
#48
fabian-paul
closed
7 years ago
0
Sort complex eigenvals
#47
fabian-paul
closed
7 years ago
0
made import relative (for easier integration into pyemma)
#46
fabian-paul
closed
7 years ago
1
Test submod
#45
marscher
closed
6 years ago
7
minor changes [ci skip]
#44
marscher
closed
8 years ago
0
Fix handling of masks in moments.py
#43
fnueske
closed
8 years ago
1
Cleanup and small modifications
#42
fnueske
closed
8 years ago
12
qr_solver can deal with 1x1 arrays
#41
franknoe
closed
8 years ago
0
Cleanup decompositions
#40
franknoe
closed
8 years ago
4
Add documentation to qr_solve
#39
franknoe
closed
8 years ago
3
Added variational/solvers/qr_c
#38
fnueske
closed
8 years ago
11
remove subdir basissets
#37
franknoe
closed
8 years ago
2
Solvers
#36
franknoe
closed
8 years ago
2
Flag for time-lagged data
#35
fnueske
closed
8 years ago
4
installing devel_Feliks branch
#34
euhruska
closed
8 years ago
2
use relative imports to make future subtree splits easy.
#33
marscher
closed
8 years ago
0
Trajectory weights
#32
fnueske
closed
8 years ago
6
[setup] depend on a modern cython version
#31
marscher
closed
8 years ago
1
estimators.moments_XXXY: X and Y arrays get centered at different means.
#30
fnueske
closed
8 years ago
22
added useful flags to covariance computation
#29
franknoe
closed
8 years ago
0
symmetrized running_covar gives unexpected results
#28
fabian-paul
closed
8 years ago
7
QR Eigenvalue Solver
#27
fnueske
closed
8 years ago
1
Fixed error in _M2_const if one of the two masks is None.
#26
fnueske
closed
8 years ago
4
RunningMoments should use provided means
#25
marscher
closed
8 years ago
0
RunningMoments fails during add with nsave=1
#24
marscher
closed
8 years ago
2
improved benchmarking
#23
franknoe
closed
8 years ago
8
[variational.estimators.tests] automatized benchmarking
#22
franknoe
closed
8 years ago
2
Covar improved merge
#21
franknoe
closed
8 years ago
4
[ci] added Appveyor (windows) testing support
#20
marscher
closed
9 years ago
1
Exception: Number of basis functions is incorrect.Got 10, expected 11.
#19
marscher
closed
9 years ago
6
Python3 failure: compare shape (tuple) with scalar
#18
marscher
closed
9 years ago
2
Enable Travis-CI testing (and fix follow up fix setup)
#17
marscher
closed
9 years ago
4
[setup] cleanup
#16
marscher
closed
9 years ago
1
Installation fails: No module named versioneer.
#15
fnueske
closed
9 years ago
4
Covar simpler
#14
franknoe
closed
9 years ago
2
Covar
#13
franknoe
closed
9 years ago
10
moved examples
#12
franknoe
closed
9 years ago
0
Improve estimator
#11
fnueske
closed
9 years ago
0
Add basisset vitalini
#10
fvitalini
closed
9 years ago
1
make discretization self-contained
#9
franknoe
opened
9 years ago
0
basis set computation doesn't seem to work right
#8
franknoe
opened
9 years ago
8
basissets: fixed path problem. estimators: fixed import
#7
franknoe
closed
9 years ago
1
Implemented first and most simply version of the correlation matrix e…
#6
franknoe
closed
9 years ago
0
fixed tabs on ramachandran.py
#5
fvitalini
closed
9 years ago
0
debugged ramachandran.py
#4
fvitalini
closed
9 years ago
6
Add basisset vitalini
#3
fvitalini
closed
9 years ago
11
Add correlation matrix estimator
#2
franknoe
closed
9 years ago
4
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