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deeptime-ml
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deeptime
Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation
https://deeptime-ml.github.io/
GNU Lesser General Public License v3.0
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restrict_to_submodel in TRAMDataset
#299
kterakura
opened
1 week ago
0
Extracting pdb structures
#298
GSINGH006
opened
1 month ago
2
Regarding trajectory data
#297
GSINGH006
opened
1 month ago
2
KoopmanWeightingEstimator partial_fit method throws ValueError
#296
ajcecil64
closed
1 month ago
2
numpy2
#295
clonker
closed
1 month ago
1
Add Tutorial for Analyzing MD Trajectories Using Deeptime
#294
JilsyXavier
opened
2 months ago
1
Cross Validation score for MaximumLikelihoodMSMs and BayesianMSMs
#293
prateekbansal97
closed
3 months ago
2
Remove normalize parameter from sindy
#292
clonker
closed
3 months ago
1
restrict scikit-learn version
#291
clonker
closed
4 months ago
1
Implementation of Girsanov reweighting in deeptime MSM estimator
#290
anyschaefer
opened
4 months ago
9
Applying TICA to ragged feature vectors
#289
ryankzhu
closed
7 months ago
2
Example/tutorial for dealing with MD trajectories
#287
pojeda
opened
7 months ago
1
Does one need identical features to compare between related systems?
#285
cgseitz
closed
7 months ago
4
deeptime cannot be installed on Mac computers with Apple Silicon and Python 3.12.0.
#283
GuangchenJ
opened
10 months ago
4
Which version of VAMPNets is there?
#282
palominohernandez
opened
11 months ago
1
Installation without conda and pip
#281
Owen2015
opened
12 months ago
3
unify progress callback signature with tqdm
#280
clonker
closed
12 months ago
1
How to compute any actual quantity of the coarse-grained kinetics with employing the fuzzy memberships?
#279
ShenWenHuibit
opened
1 year ago
7
Bayesian Markov models give different MFPT
#278
ShenWenHuibit
closed
1 year ago
0
VAMPnet gives highly fluctuating score results
#277
ShenWenHuibit
closed
1 year ago
1
add test for issue#275
#276
clonker
closed
1 year ago
1
[Bug] At least one of the given states is not contained in this model
#275
DanielWicz
closed
1 year ago
2
detach inverse in the VAMPE score
#274
DanielWicz
opened
1 year ago
4
update ci for newer catch2 version and remove conan
#273
clonker
closed
1 year ago
1
Update parallel function according to documentation
#272
SianXiaoCHN
closed
1 year ago
2
Implied timescales from deeptime.decomposition.TICA
#271
fwaibl
closed
1 year ago
2
Handling parallel simulations
#270
SianXiaoCHN
closed
1 year ago
1
About applying Deeptime to molecular dynamics simulation trajectories on protien
#269
TianmingQu
closed
1 year ago
3
cibuildwheel cleanup
#268
clonker
closed
1 year ago
1
Update for scikit-learn 1.2
#267
clonker
closed
1 year ago
1
Remove sklearn-private pprint.
#266
clonker
closed
1 year ago
0
Error importing deeptime with scikit-learn 1.2.0
#265
stefdoerr
closed
1 year ago
4
pyproject.toml config
#264
clonker
closed
1 year ago
1
Enable python 3.11 in CI pipelines
#263
clonker
closed
1 year ago
1
Added an optional argument for specifying the tolerance in is_reversi…
#262
wehs7661
closed
1 year ago
2
Lorenz system, Thomas attractor, Improvements regarding documentation, TV Derivative improvements
#261
clonker
closed
1 year ago
1
TV derivative and minor documentation fixes
#260
clonker
closed
1 year ago
1
Allowing weights for VAMP dimensionality reduction
#259
jdrusso
opened
1 year ago
6
Remove deprecated CK Test validator
#258
clonker
closed
1 year ago
1
remove print
#257
MaaikeG
closed
1 year ago
1
Automate generating bdist wheels
#256
clonker
closed
1 year ago
1
Var_cutoff can be disabled in covariance koopman models. Fixes #254.
#255
clonker
closed
1 year ago
1
TICA fit-once transform-many
#254
stefdoerr
closed
1 year ago
6
Error when installing from local repo via pip
#251
abittracher
closed
1 year ago
4
[setup] exclude examples, docs, devtools when packaging
#250
clonker
closed
2 years ago
0
py38
#249
clonker
closed
2 years ago
1
Cannot install deeptime. I have Python 3.10 (Windows 10) and trying to install using Visual Studio 2022
#248
panandreou
closed
2 years ago
12
Contour and density plot utility functions
#247
clonker
closed
2 years ago
1
Fix the bug
#246
MaaikeG
closed
2 years ago
1
Convergence warning bugfix
#245
MaaikeG
closed
2 years ago
2
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