markovmodel's Repositories
34 repositories
adaptivemd
A python framework to run adaptive Markov state model (MSM) simulation on HPC resources
⭐ 18
🌐 Public
📦 Archived
basissets
Basis sets for variational approach for conformational dynamics (VAC)
⭐ 0
🌐 Public
compsci-2016
Repository for the computational sciences project of 2016/2017
⭐ 1
🌐 Public
📦 Archived
compsci-2017
Repository for the computational sciences software project of 2017/2018
⭐ 0
🌐 Public
📦 Archived
compsci-2018
Repository for the computational sciences software project of 2018/2019
⭐ 4
🌐 Public
coordinates
No description
⭐ 2
🌐 Public
📦 Archived
decomposed_msms
No description
⭐ 3
🌐 Public
deepmsm
Code to reproduce results for the paper: Progress in deep Markov State Modeling: Coarse graining and experimental data restraints
⭐ 8
🌐 Public
deeptime
Deep learning meets molecular dynamics.
⭐ 187
🌐 Public
deep_gen_msm
Code for the results of the paper at https://arxiv.org/abs/1805.07601
⭐ 6
🌐 Public
deep_rev_msm
No description
⭐ 2
🌐 Public
feature_selection
Variational approach to feature selection
⭐ 0
🌐 Public
graphtime
Encoding of transition probabilities with undirected graphical models
⭐ 9
🌐 Public
ivampnets
No description
⭐ 25
🌐 Public
markovmodel.github.io
No description
⭐ 0
🌐 Public
mcmm-project
No description
⭐ 0
🌐 Public
📦 Archived
mdshare
Get access to our MD data files.
⭐ 29
🌐 Public
molPX
IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook
⭐ 43
🌐 Public
msm-theory-sandbox
A playground for examples and tools to explore the theory of MSMs and related models.
⭐ 1
🌐 Public
msmrd
MSMs coupled with reaction-diffusion dynamics
⭐ 3
🌐 Public
msmrd2
No description
⭐ 4
🌐 Public
msmtools
Tools for estimating and analyzing Markov state models
⭐ 43
🌐 Public
oom
Code for observable operator models
⭐ 0
🌐 Public
PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
⭐ 333
🌐 Public
📦 Archived
pyemma-workshop
No description
⭐ 31
🌐 Public
PyEMMA_IPython
PyEMMA Jupyter Notebooks
⭐ 13
🌐 Public
pyemma_tutorials
How to analyze molecular dynamics data with PyEMMA
⭐ 81
🌐 Public
pyfeat
No description
⭐ 3
🌐 Public
📦 Archived
PySFD
No description
⭐ 5
🌐 Public
pystallone
Python bridge to Java Stallone library
⭐ 0
🌐 Public
pytram
The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA
⭐ 9
🌐 Public
📦 Archived
stallone
stallone java library
⭐ 0
🌐 Public
thermotools
Winter is coming...
⭐ 13
🌐 Public
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.
⭐ 10
🌐 Public
📦 Archived