🚂 Python API for Emma's Markov Model Algorithms 🚂
☆340Sep 11, 2023Updated 2 years ago
Alternatives and similar repositories for PyEMMA
Users that are interested in PyEMMA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- How to analyze molecular dynamics data with PyEMMA☆88May 29, 2019Updated 7 years ago
- Tools for estimating and analyzing Markov state models☆41Aug 15, 2022Updated 4 years ago
- Statistical models for biomolecular dynamics☆168Jan 26, 2021Updated 5 years ago
- An open source Python framework for transition interface and path sampling calculations.☆118Jun 6, 2026Updated 2 months ago
- An open library for the analysis of molecular dynamics trajectories☆729Aug 19, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆17Aug 1, 2025Updated last year
- ☆32Feb 24, 2022Updated 4 years ago
- Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation☆886Jun 26, 2026Updated 2 months ago
- Deep learning meets molecular dynamics.☆189May 3, 2019Updated 7 years ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆339Updated this week
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,961Updated this week
- PyEMMA Jupyter Notebooks☆13Jan 28, 2021Updated 5 years ago
- Basis sets, estimators and solvers for the variational approach of conformation dynamics. NOTE: the code has been merged with PyEMMA and …☆10Dec 8, 2016Updated 9 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Winter is coming...☆14Jan 23, 2019Updated 7 years ago
- Data visualizations for biomolecular dynamics☆17Oct 30, 2018Updated 7 years ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 10 years ago
- Development version of plumed 2☆516Updated this week
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆33Jan 17, 2018Updated 8 years ago
- Get access to our MD data files.☆34Nov 22, 2023Updated 2 years ago
- Using supervised machine learning to build collective variables for accelerated sampling☆28Jun 26, 2018Updated 8 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆203Jul 6, 2023Updated 3 years ago
- Collective variables library for molecular simulation and analysis programs☆243Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,638Aug 18, 2026Updated last week
- learning coarse-grained force fields☆66Nov 30, 2021Updated 4 years ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆410Aug 18, 2026Updated last week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆379Aug 5, 2026Updated 3 weeks ago
- the simple alchemistry library☆245Jun 1, 2026Updated 2 months ago
- HTMD: Programming Environment for Molecular Discovery☆276Updated this week
- A primer on software development best practices for computational chemistry☆277Dec 5, 2022Updated 3 years ago
- OpenMM plugin to interface with PLUMED☆82Jan 15, 2026Updated 7 months ago
- IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook☆43Feb 14, 2019Updated 7 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Parameter/topology editor and molecular simulator☆453Jul 1, 2026Updated last month
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆461Dec 15, 2025Updated 8 months ago
- Locally-Scaled Diffusion Maps, DM-d-MD☆12May 12, 2016Updated 10 years ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆23Mar 13, 2018Updated 8 years ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆218Updated this week
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆19Jun 6, 2023Updated 3 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆37Mar 11, 2026Updated 5 months ago