markovmodel PyEMMA issues

markovmodel / PyEMMA

🚂 Python API for Emma's Markov Model Algorithms 🚂

http://pyemma.org

GNU Lesser General Public License v3.0

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issues

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custom feature without mdtraj analysis functions

#1515 germanbarcenas closed 3 years ago
4
save_trajs support for fragmented data source

#1514 clonker closed 3 years ago
2
coordinates.load loading wrong shape from GROMACS .xtc

#1513 germanbarcenas closed 3 years ago
6
Creating custom features

#1512 cgseitz closed 2 years ago
10
Dimensionality reduction in tica confusion

#1511 eackad closed 2 years ago
2
VAMP2 score calculation error

#1510 Bazzinga18 closed 2 years ago
2
Umbrella sampling

#1509 andresilvapimentel closed 2 years ago
9
HMM timescale issue

#1508 orthonalmatrix closed 3 years ago
3
No module named 'pyemma.msm.analysis', 'pyemma.msm.generation'

#1507 MCVifpen closed 3 years ago
6
Documentation on hidden_state_probabilities

#1506 orthonalmatrix closed 2 years ago
5
[CI] azure pipelines setup

#1505 clonker closed 3 years ago
1
Use int instead of numpy.int

#1504 sroet closed 3 years ago
2
Update types.py

#1503 sroet closed 3 years ago
5
Calculating uncertainty in free energy surface.

#1502 sperezconesa closed 2 years ago
9
How to combine features from featurizer?

#1501 cgseitz closed 3 years ago
9
Estimation and validation

#1500 andresilvapimentel closed 3 years ago
3
Issue on the dtrajs_concatenated

#1499 andresilvapimentel closed 3 years ago
1
Plotting TICA analysis

#1498 andresilvapimentel closed 3 years ago
2
Strategies for high-dimensional featurization

#1497 palominohernandez closed 2 years ago
11
Dimension in the feature selection

#1496 andresilvapimentel closed 3 years ago
15
Openning XTC files using pyemma.coordinates.load(files, features=feat)

#1495 andresilvapimentel closed 3 years ago
18
adw_us.npz file

#1494 andresilvapimentel closed 3 years ago
0
Features: vector coordinates?

#1493 mohamedmarzouk22 closed 3 years ago
2
Errors in the pyemma jupyternotebook tutorials

#1492 e-richter closed 3 years ago
4
fix shape error in its plot

#1491 clonker closed 3 years ago
0
Fixes

#1490 clonker closed 3 years ago
1
Fix minor warnings and generalize ITS plot

#1489 clonker closed 3 years ago
0
handle n_jobs consistently

#1488 clonker closed 3 years ago
1
Running a simulation to create data for PyEmma

#1487 phisanti closed 3 years ago
2
cluster_kmeans fails with n_jobs=-1

#1486 cgseitz closed 3 years ago
8
pyemma slow

#1485 lazylizzard99 closed 3 years ago
8
RuntimeError: requested more output dimensions (10) than dimension of input data (1)

#1484 sbhakat closed 3 years ago
1
Is koopman reweighting working with TICA ?

#1483 DanielWicz closed 3 years ago
1
deeptime hmm vs pyemma hmm

#1482 pl992 closed 3 years ago
8
Can enhanced sampling MD data be used for MSM analysis?

#1481 lucl13 closed 3 years ago
2
ensure blosc filter availability

#1480 thempel closed 4 years ago
1
fix fixture scope

#1479 clonker closed 4 years ago
0
Make MDFeaturizer a scikit-learn type class

#1478 RobertArbon closed 4 years ago
4
Check blosc script runs now.

#1477 RobertArbon closed 4 years ago
3
Saving model error

#1476 yossadh closed 3 years ago
3
save_trajs outfile not accepting list - Jupyter Tutorial

#1475 Dan-Burns closed 4 years ago
6
HMM building finds a not weakly connected input matrix

#1474 pl992 closed 4 years ago
3
Unclear documentation for attribute active_state_indexes of pyemma.msm.MaximumLikelihoodMSM

#1473 pl992 closed 4 years ago
1
Random Walk with emna

#1472 toth12 closed 4 years ago
3
Description of SideChainTorsions with cossin=True is incorrect

#1471 firsc closed 4 years ago
1
Implied Timescales estimator failure

#1470 ghost closed 4 years ago
0
Dimension reduction

#1469 ghost closed 4 years ago
2
include path for libstdc++ headers not found

#1468 RobertArbon closed 4 years ago
8
PyEMMA-Custom Feature

#1467 ghost closed 4 years ago
21
source() fails to error on passing an array vs. list of trajectories // featurizer is only allegedly optional

#1466 rafwiewiora closed 3 years ago
2

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