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The Top 23 Openmm Open Source Projects

Open source projects categorized as Openmm
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 3 months ago
Openmmtools ⭐ 214
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
dependent packages 4total releases 10most recent commit 6 months ago
Perses ⭐ 163
Experiments with expanded ensembles to explore chemical space
total releases 9most recent commit 6 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 6 months agopypi pytim} Downloads
Openff Interchange ⭐ 57
A project (and object) for storing, manipulating, and converting molecular mechanics data.
dependent packages 2total releases 8most recent commit 5 months ago
Openff Evaluator ⭐ 47
A physical property evaluation toolkit from the Open Forcefield Consortium.
dependent packages 1total releases 6most recent commit 5 months ago
Grand ⭐ 34
A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
most recent commit a year ago
Pysages ⭐ 33
Python Suite for Advanced General Ensemble Simulations
most recent commit 5 months 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 7 months ago
Seekr2 ⭐ 22
Simulation-Enabled Estimation of Kinetic Rates - Version 2
total releases 3most recent commit 8 months ago
Ufedmm ⭐ 20
Unified Free Energy Dynamics (UFED) simulations with OpenMM
most recent commit 6 months ago
Ommprotocol ⭐ 20
A command line application to launch molecular dynamics simulations with OpenMM
total releases 11most recent commit 3 years ago
Transformato ⭐ 17
Set up relative free energy calculations using a common scaffold
most recent commit 5 months ago
Protons ⭐ 17
OpenMM testbed for constant-pH methodologies.
most recent commit 3 years ago
Open3spn2 ⭐ 16
An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM
total releases 7most recent commit 6 months ago
Openmm Tutorials ⭐ 15
Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM
most recent commit 7 years ago
Sml_cv ⭐ 14
Using supervised machine learning to build collective variables for accelerated sampling
most recent commit 6 years ago
Playmol ⭐ 13
Playmol is a(nother) software for building molecular models
most recent commit a year ago
Oeommtools ⭐ 12
Tool collection to integrate and mix OpenEye and OpenMM
most recent commit a year ago
Absolv ⭐ 11
Absolute solvation free energy calculations with OpenFF and OpenMM
total releases 1most recent commit 5 months ago
Cg_openmm ⭐ 11
Tools to build coarse grained models and perform simulations with OpenMM
dependent packages 1total releases 2most recent commit 2 years agopypi cg-openmm} Downloads
The 7 Most Depended On 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 6 months ago
Openff Interchange ⭐ 57
A project (and object) for storing, manipulating, and converting molecular mechanics data.
dependent packages 2total releases 8latest release September 02, 2022most recent commit 5 months ago
Cg_openmm ⭐ 11
Tools to build coarse grained models and perform simulations with OpenMM
dependent packages 1total releases 2latest release October 21, 2019most recent commit 2 years agopypi cg-openmm} 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
Openff Evaluator ⭐ 47
A physical property evaluation toolkit from the Open Forcefield Consortium.
dependent packages 1total releases 6latest release September 16, 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 6 months agopypi pytim} Downloads
The 10 Latest Releases In Openmm Open Source Projects
Open3spn2 ⭐ 16
An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM
total releases 7latest release October 24, 2023most recent commit 6 months ago
Openff Evaluator ⭐ 47
A physical property evaluation toolkit from the Open Forcefield Consortium.
dependent packages 1total releases 6latest release September 16, 2022most recent commit 5 months ago
Openff Interchange ⭐ 57
A project (and object) for storing, manipulating, and converting molecular mechanics data.
dependent packages 2total releases 8latest release September 02, 2022most recent commit 5 months ago
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 6 months ago
Perses ⭐ 163
Experiments with expanded ensembles to explore chemical space
total releases 9latest release June 27, 2022most recent commit 6 months ago
Seekr2 ⭐ 22
Simulation-Enabled Estimation of Kinetic Rates - Version 2
total releases 3latest release April 15, 2022most recent commit 8 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 6 months agopypi pytim} Downloads
Absolv ⭐ 11
Absolute solvation free energy calculations with OpenFF and OpenMM
total releases 1latest release December 23, 2021most recent commit 5 months ago
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
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