Markov model

Pinned Repositories

adaptivemd
A python framework to run adaptive Markov state model (MSM) simulation on HPC resources
Language:Python18 9 287
deeptime
Deep learning meets molecular dynamics.
Language:Jupyter Notebook172 25 2440
ivampnets
Language:Python24 6 72
mdshare
Get access to our MD data files.
Language:Python25 3 65
molPX
IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook
Language:Python39 11 242
msmtools
Tools for estimating and analyzing Markov state models
Language:Python39 11 4524
PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
Language:Python305 31 892119
pyemma-workshop
Language:Jupyter Notebook23 20 59
pyemma_tutorials
How to analyze molecular dynamics data with PyEMMA
Language:Jupyter Notebook71 9 10434
thermotools
Winter is coming...
Language:Python12 19 174

Markov model's Repositories

markovmodel/PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
Language:Python305 31 892119
markovmodel/deeptime
Deep learning meets molecular dynamics.
Language:Jupyter Notebook172 25 2440
markovmodel/pyemma_tutorials
How to analyze molecular dynamics data with PyEMMA
Language:Jupyter Notebook71 9 10434
markovmodel/molPX
IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook
Language:Python39 11 242
markovmodel/msmtools
Tools for estimating and analyzing Markov state models
Language:Python39 11 4524
markovmodel/mdshare
Get access to our MD data files.
Language:Python25 3 65
markovmodel/ivampnets
Language:Python24 6 72
markovmodel/pyemma-workshop
Language:Jupyter Notebook23 20 59
markovmodel/adaptivemd
A python framework to run adaptive Markov state model (MSM) simulation on HPC resources
Language:Python18 9 287
markovmodel/thermotools
Winter is coming...
Language:Python12 19 174
markovmodel/PyEMMA_IPython
PyEMMA Jupyter Notebooks
Language:Jupyter Notebook11 18 412
markovmodel/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.
Language:Python10 19 195
markovmodel/pytram
The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA
Language:Python9 20 462
markovmodel/graphtime
Encoding of transition probabilities with undirected graphical models
Language:Jupyter Notebook8 5 15
markovmodel/deep_gen_msm
Code for the results of the paper at https://arxiv.org/abs/1805.07601
Language:Jupyter Notebook6 5 01
markovmodel/deepmsm
Code to reproduce results for the paper: Progress in deep Markov State Modeling: Coarse graining and experimental data restraints
Language:Jupyter Notebook6 8 02
markovmodel/PySFD
Language:Python5 6 46
markovmodel/compsci-2018
Repository for the computational sciences software project of 2018/2019
Language:Jupyter Notebook4 14 312
markovmodel/msmrd2
Language:C++3 17 01
markovmodel/coordinates
Language:Python2 18 15
markovmodel/deep_rev_msm
Language:Jupyter Notebook2 8 01
markovmodel/msmrd
MSMs coupled with reaction-diffusion dynamics
Language:Jupyter Notebook2 5 01
markovmodel/compsci-2016
Repository for the computational sciences project of 2016/2017
Language:Jupyter Notebook1 8 07
markovmodel/decomposed_msms
Language:Jupyter Notebook1 8 0
markovmodel/msm-theory-sandbox
A playground for examples and tools to explore the theory of MSMs and related models.
Language:Python1 6 02
markovmodel/basissets
Basis sets for variational approach for conformational dynamics (VAC)
Language:Python5 0
markovmodel/compsci-2017
Repository for the computational sciences software project of 2017/2018
Language:Jupyter Notebook7 03
markovmodel/feature_selection
Variational approach to feature selection
Language:Python7 1
markovmodel/mcmm-project
Language:Jupyter Notebook4 09
markovmodel/oom
Code for observable operator models
Language:Python6 0