GitHub topics: markov-state-model
bowman-lab/enspara
Modeling molecular ensembles with scalable data structures and parallel computing
Language: Python - Size: 9.25 MB - Last synced at: 2 days ago - Pushed at: 6 days ago - Stars: 36 - Forks: 17
deeptime-ml/deeptime
Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation
Language: Python - Size: 13 MB - Last synced at: 13 days ago - Pushed at: 3 months ago - Stars: 808 - Forks: 87
markovmodel/msmtools
Tools for estimating and analyzing Markov state models
Language: Python - Size: 1.75 MB - Last synced at: 6 days ago - Pushed at: almost 3 years ago - Stars: 42 - Forks: 27
svats73/mdml
mdml: Deep Learning for Molecular Simulations
Language: Python - Size: 5.92 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 34 - Forks: 7
markovmodel/PyEMMA 📦
🚂 Python API for Emma's Markov Model Algorithms 🚂
Language: Python - Size: 10.3 MB - Last synced at: 14 days ago - Pushed at: almost 2 years ago - Stars: 325 - Forks: 122
matsunagalab/tutorial_hmm
Hands-on tutorials for Markov state modeling of MD and EXP data
Language: Jupyter Notebook - Size: 78.8 MB - Last synced at: about 1 month ago - Pushed at: over 4 years ago - Stars: 4 - Forks: 2
Kitaolab/PaCS-Toolkit
PaCS-Toolkit: Optimized software utilities for PaCS-MD and following analysis
Language: Python - Size: 1.68 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 17 - Forks: 4
eguarnera/ChromaWalker
ChromaWalker
Language: Python - Size: 109 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
eguarnera/ChromaSEP
ChromaSEP
Language: Python - Size: 3.65 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
sbhakat/PMV
Scripts used for MSM and post-dynamics analysis of PMV simulations
Language: Jupyter Notebook - Size: 1.11 MB - Last synced at: almost 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
sbhakat/AF-cryptic-pocket
Cryptic pocket prediction using AlphaFold 2
Language: Jupyter Notebook - Size: 72.9 MB - Last synced at: almost 2 years ago - Pushed at: over 2 years ago - Stars: 11 - Forks: 2
BioKT/MasterMSM
Python package for generating Markov state models
Language: Python - Size: 33.4 MB - Last synced at: almost 2 years ago - Pushed at: almost 3 years ago - Stars: 17 - Forks: 8
sbhakat/MSM-ring-flipping
Predicting kinetics of aromatic side-chain flipping using Markov State Model
Language: Jupyter Notebook - Size: 22 MB - Last synced at: almost 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 1
sonidosmutantes/apicultor
[Deprecated] py2.7 API.Cultor: Another BigData approach to sound collections
Language: Python - Size: 155 MB - Last synced at: 6 days ago - Pushed at: over 3 years ago - Stars: 19 - Forks: 5
liyigerry/gp120
Data, methods and code for research on the molecular dynamics of HIV glycoprotein gp120
Size: 459 MB - Last synced at: 3 months ago - Pushed at: over 5 years ago - Stars: 2 - Forks: 0
