Tools for estimating and analyzing Markov state models
☆41Aug 15, 2022Updated 3 years ago
Alternatives and similar repositories for msmtools
Users that are interested in msmtools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 10 years ago
- Winter is coming...☆14Jan 23, 2019Updated 7 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
- PyEMMA Jupyter Notebooks☆13Jan 28, 2021Updated 5 years ago
- 🚂 Python API for Emma's Markov Model Algorithms 🚂☆339Sep 11, 2023Updated 2 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.
- conda build recipes for the Omnia project☆24Aug 3, 2021Updated 4 years ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆17Aug 1, 2025Updated 10 months ago
- Python package for generating Markov state models☆17Mar 13, 2026Updated 2 months ago
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- ☆32Feb 24, 2022Updated 4 years ago
- An open source Python framework for transition interface and path sampling calculations.☆116May 20, 2026Updated 2 weeks ago
- Bayesian hidden Markov models toolkit☆48Aug 25, 2020Updated 5 years ago
- ☆29Dec 1, 2020Updated 5 years ago
- An open library for the analysis of molecular dynamics trajectories☆716Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Apr 12, 2018Updated 8 years ago
- Statistical models for biomolecular dynamics☆167Jan 26, 2021Updated 5 years ago
- Adaptive string method implementation in AmberTools23 and Amber22☆15Jan 7, 2025Updated last year
- Tools for preparation and analysis of systems for molecular dynamics.☆32Dec 5, 2025Updated 6 months ago
- Learning free energy landscapes using artificial neural networks☆15Nov 30, 2017Updated 8 years ago
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Feb 15, 2019Updated 7 years ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- Get access to our MD data files.☆33Nov 22, 2023Updated 2 years ago
- Deep learning meets molecular dynamics.☆189May 3, 2019Updated 7 years ago
- 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.
- Python / C++ based particle reaction-diffusion simulator☆62Mar 29, 2026Updated 2 months ago
- Computational Statistical Mechanics Tutorials☆15Nov 29, 2012Updated 13 years ago
- Program for robust fitting of bonded Molecular Mechanics parameters☆15Jun 30, 2015Updated 10 years ago
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆33Jan 17, 2018Updated 8 years ago
- IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook☆44Feb 14, 2019Updated 7 years ago
- Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.☆21Sep 20, 2021Updated 4 years ago
- Automated construction of protein chimeras and their analysis.☆15Sep 29, 2023Updated 2 years ago
- An example of how to write a plugin for OpenMM☆31Jan 25, 2024Updated 2 years ago
- Installable VMD as a python module☆154Jun 10, 2025Updated 11 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A library that enables code interoperability via the MolSSI Driver Interface.☆35Apr 10, 2026Updated last month
- ☆25Feb 28, 2023Updated 3 years ago
- Low-level primitives for collapsed Gibbs sampling in python and C++☆33Mar 27, 2024Updated 2 years ago
- Parse and tag unstructured academic citations.☆47Feb 26, 2018Updated 8 years ago
- Geometrical Counter-Poise Correction☆14Nov 19, 2024Updated last year
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆327Jan 7, 2026Updated 5 months ago
- MD trajectory server☆38Jul 6, 2023Updated 2 years ago