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The Top 15 Molecular Dynamics Openmm Open Source Projects

Open source projects categorized as Molecular Dynamics Openmm
Categories > Science > Molecular Dynamics
Categories > Openmm
Openff Toolkit ⭐ 286
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
dependent packages 10total releases 14most recent commit a month ago
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
Fahbench ⭐ 27
Folding@home GPU benchmark
most recent commit 4 years ago
Ambertools Openmm Md ⭐ 24
Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another notebook to finish the simulaiton on Colab was attached as well.
most recent commit 5 months 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
Playmol ⭐ 13
Playmol is a(nother) software for building molecular models
most recent commit a year 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 4 Most Depended On 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 6 Latest Releases In 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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