Winter is coming...
☆14Jan 23, 2019Updated 7 years ago
Alternatives and similar repositories for thermotools
Users that are interested in thermotools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- conda build recipes for the Omnia project☆24Aug 3, 2021Updated 4 years ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 9 years ago
- Tools for estimating and analyzing Markov state models☆41Aug 15, 2022Updated 3 years ago
- PyEMMA Jupyter Notebooks☆14Jan 28, 2021Updated 5 years ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆18Aug 1, 2025Updated 7 months ago
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- pyGPCCA - python GPCCA: Generalized Perron Cluster Cluster Analysis package to coarse-grain reversible and non-reversible Markov state mo…☆26Feb 17, 2026Updated last month
- Bayesian hidden Markov models toolkit☆47Aug 25, 2020Updated 5 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 11 years ago
- Get access to our MD data files.☆31Nov 22, 2023Updated 2 years ago
- An open source Python framework for transition interface and path sampling calculations.☆116Mar 2, 2026Updated 3 weeks ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- How to analyze molecular dynamics data with PyEMMA☆84May 29, 2019Updated 6 years ago
- Datasets for open forcefield parameterization and development☆11Sep 22, 2019Updated 6 years 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 6 years ago
- 🚂 Python API for Emma's Markov Model Algorithms 🚂☆339Sep 11, 2023Updated 2 years ago
- IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook☆49Feb 14, 2019Updated 7 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- MD trajectory server☆35Jul 6, 2023Updated 2 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆200Jul 6, 2023Updated 2 years ago
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆53May 30, 2025Updated 9 months ago
- GUI4dft - first free SIESTA oriented GUI☆28Jan 25, 2026Updated last month
- Python tools for VMD☆10Jun 3, 2018Updated 7 years ago
- Instant search for Sphinx☆14Apr 5, 2023Updated 2 years ago
- OpenMM testbed for constant-pH methodologies.☆24Sep 20, 2021Updated 4 years ago
- Code for the results of the Paper:☆21May 17, 2018Updated 7 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Apr 12, 2018Updated 7 years ago
- Python / C++ based particle reaction-diffusion simulator☆61Jul 25, 2025Updated 7 months ago
- Molecular dynamics package designed for the SIESTA DFT code.☆17Nov 10, 2025Updated 4 months ago
- A primer on statistical mechanics for biochemists☆48Sep 5, 2022Updated 3 years ago
- DEPRECATED LoopBack example application for embedded relations☆11Jan 7, 2016Updated 10 years ago
- Geomajas server project☆13Feb 20, 2020Updated 6 years ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- UG4's package manager. Please use ughub to install all the other packages available in the UG4 group.☆10Nov 28, 2024Updated last year
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆33Jan 17, 2018Updated 8 years ago
- A benchmark utility for pytest.☆17Mar 5, 2018Updated 8 years ago
- Robust Equilibration Detection☆27Feb 2, 2026Updated last month