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The Top 11 Python Molecular Dynamics Openmm Open Source Projects

Open source projects categorized as Python Molecular Dynamics Openmm
Categories > Science > Molecular Dynamics
Categories > Openmm
Openmmtools ⭐ 214
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
dependent packages 4total releases 10most recent commit 5 months ago
Perses ⭐ 163
Experiments with expanded ensembles to explore chemical space
total releases 9most recent commit 4 months ago
Yank ⭐ 150
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
dependent packages 1total releases 1most recent commit a year ago
Pytim ⭐ 68
a python package for the interfacial analysis of molecular simulations
dependent packages 1total releases 18most recent commit 4 months agopypi pytim} Downloads
Grand ⭐ 34
A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
most recent commit a year ago
Ufedmm ⭐ 20
Unified Free Energy Dynamics (UFED) simulations with OpenMM
most recent commit 5 months ago
Ommprotocol ⭐ 20
A command line application to launch molecular dynamics simulations with OpenMM
total releases 11most recent commit 3 years ago
Openmm Tutorials ⭐ 15
Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM
most recent commit 7 years ago
Smartsim Openmm ⭐ 7
SmartSim used to implement the DeepDriveMD workflow with OpenMM
most recent commit 2 years ago
Cvpack ⭐ 6
Useful Collective Variables for OpenMM
most recent commit 3 months ago
Mdtools ⭐ 5
Tools for running MD simulations in OpenMM
most recent commit 7 months ago
The 3 Most Depended On Python Molecular Dynamics Openmm Open Source Projects
Openmmtools ⭐ 214
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
dependent packages 4total releases 10latest release August 03, 2022most recent commit 5 months ago
Pytim ⭐ 68
a python package for the interfacial analysis of molecular simulations
dependent packages 1total releases 18latest release January 23, 2022most recent commit 4 months agopypi pytim} Downloads
Yank ⭐ 150
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
dependent packages 1total releases 1latest release January 26, 2021most recent commit a year ago
The 5 Latest Releases In Python Molecular Dynamics Openmm Open Source Projects
Openmmtools ⭐ 214
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
dependent packages 4total releases 10latest release August 03, 2022most recent commit 5 months ago
Perses ⭐ 163
Experiments with expanded ensembles to explore chemical space
total releases 9latest release June 27, 2022most recent commit 4 months ago
Pytim ⭐ 68
a python package for the interfacial analysis of molecular simulations
dependent packages 1total releases 18latest release January 23, 2022most recent commit 4 months agopypi pytim} Downloads
Yank ⭐ 150
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
dependent packages 1total releases 1latest release January 26, 2021most recent commit a year ago
Ommprotocol ⭐ 20
A command line application to launch molecular dynamics simulations with OpenMM
total releases 11latest release September 07, 2018most recent commit 3 years ago
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