markov-state-model 开源项目推荐（24 个）

deeptime-ml /deeptime

用于时间序列数据分析的 Python 库，包括降维、聚类和马尔可夫模型估计

markovmodel /PyEMMA

🚂 Python API for Emma's Markov Model Algorithms 🚂

svats73 /mdml

mdml: Deep Learning for Molecular Simulations

markovmodel /msmtools

Tools for estimating and analyzing Markov state models

bowman-lab /enspara

Modeling molecular ensembles with scalable data structures and parallel computing

Kitaolab /PaCS-Toolkit

PaCS-工具包：针对PaCS-MD及后续分析优化的软件工具

sbhakat /AF-cryptic-pocket

Cryptic pocket prediction using AlphaFold 2

sonidosmutantes /apicultor

API.Cultor: Another BigData approach to sound collections

BioKT /MasterMSM

Python package for generating Markov state models

gmf12 /plpronalysis

SARS-CoV-2 papain-like protease: inhibitor accessibility promoted by the BL2 loop (MD, PCA, MSM)

matsunagalab /tutorial_hmm

Hands-on tutorials for Markov state modeling of MD and EXP data

liyigerry /gp120

Data, methods and code for research on the molecular dynamics of HIV glycoprotein gp120

sbhakat /MSM-ring-flipping

Predicting kinetics of aromatic side-chain flipping using Markov State Model

gmf12 /NR_MSM

Markov state model analysis of nuclear receptor MD simulations

eguarnera /ChromaWalker

ChromaWalker

Aks27-hub /scaler1

This project aims to develop a autonomous traffic system using RL techniques and algorithm.

cpu-16 /ptr1-leishmania-md-gpu

Dinámica molecular en una GPU de consumo (RTX 4060): control estructural con Chignolin y aplicación a la PTR1 de Leishmania panamensis. Proyecto JIC 2026.

eguarnera /ChromaSEP

ChromaSEP

Komputerowe-Projektowanie-Lekow /pmarlo

https://pypi.org/project/pmarlo/

gmf12 /SurA

Markov state model analysis of MD simulations of the periplasmic chaperone SurA