Tools for estimating and analyzing Markov state models
☆41Aug 15, 2022Updated 4 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 🚂☆340Sep 11, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- conda build recipes for the Omnia project☆24Aug 3, 2021Updated 5 years ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆17Aug 1, 2025Updated last year
- Python package for generating Markov state models☆17Jun 11, 2026Updated 3 months ago
- Legacy release of MSMBuilder☆25Nov 30, 2016Updated 9 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 5 years ago
- Data visualizations for biomolecular dynamics☆17Oct 30, 2018Updated 7 years ago
- An open source Python framework for transition interface and path sampling calculations.☆118Jun 6, 2026Updated 4 months ago
- ☆32Feb 24, 2022Updated 4 years ago
- Bayesian hidden Markov models toolkit☆48Aug 25, 2020Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆29Dec 1, 2020Updated 5 years ago
- An open library for the analysis of molecular dynamics trajectories☆738Updated this week
- 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☆168Jan 26, 2021Updated 5 years ago
- Tools for preparation and analysis of systems for molecular dynamics.☆32Dec 5, 2025Updated 10 months ago
- This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5…☆11May 22, 2019Updated 7 years ago
- Learning free energy landscapes using artificial neural networks☆16Nov 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
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Get access to our MD data files.☆34Nov 22, 2023Updated 2 years ago
- Deep learning meets molecular dynamics.☆189May 3, 2019Updated 7 years ago
- Python / C++ based particle reaction-diffusion simulator☆65Mar 29, 2026Updated 6 months ago
- Computational Statistical Mechanics Tutorials☆15Nov 29, 2012Updated 13 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☆43Feb 14, 2019Updated 7 years ago
- Adaptive string method implementation in AmberTools23 and Amber22☆16Jan 7, 2025Updated last year
- Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.☆21Sep 20, 2021Updated 5 years ago
- Automated construction of protein chimeras and their analysis.☆15Sep 29, 2023Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- An example of how to write a plugin for OpenMM☆31Jan 25, 2024Updated 2 years ago
- Installable VMD as a python module☆157Jun 10, 2025Updated last year
- A library that enables code interoperability via the MolSSI Driver Interface.☆35Jun 17, 2026Updated 3 months ago
- Parse and tag unstructured academic citations.☆47Feb 26, 2018Updated 8 years ago
- ☆25Feb 28, 2023Updated 3 years ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆23Mar 13, 2018Updated 8 years ago
- Geometrical Counter-Poise Correction☆14Aug 17, 2026Updated last month