msmbuilder / msmbuilderLinks
Statistical models for biomolecular dynamics
☆160Updated 4 years ago
Alternatives and similar repositories for msmbuilder
Users that are interested in msmbuilder are comparing it to the libraries listed below
Sorting:
- 🚂 Python API for Emma's Markov Model Algorithms 🚂☆329Updated 2 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago
- A primer on statistical mechanics for biochemists☆47Updated 3 years ago
- Deep learning meets molecular dynamics.☆187Updated 6 years ago
- How to analyze molecular dynamics data with PyEMMA☆80Updated 6 years ago
- Installable VMD as a python module☆146Updated 5 months ago
- Notebook-integrated tools for molecular simulation and visualization☆168Updated 7 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆207Updated this week
- MD trajectory server☆35Updated 2 years ago
- Tools for estimating and analyzing Markov state models☆43Updated 3 years ago
- Python interface of cpptraj☆184Updated 9 months ago
- Use UCSF Chimera Python API in a standard interpreter☆59Updated 6 years ago
- HTMD: Programming Environment for Molecular Discovery☆268Updated 5 months ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆18Updated 3 months ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Updated 5 years ago
- Experiments with expanded ensembles to explore chemical space☆195Updated 3 weeks ago
- APBS - software for biomolecular electrostatics and solvation☆129Updated 5 years ago
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆117Updated 6 years ago
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26Updated 4 years ago
- Control PyMOL sessions via IPython☆61Updated 3 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- Conda build recipe for the rdkit☆51Updated 3 years ago
- Differentiate all the things!☆159Updated last month
- ☆130Updated 9 years ago
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆83Updated 7 years ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Updated 3 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆189Updated 2 years ago
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆32Updated 7 years ago