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The Top 15 Science Molecular Dynamics Open Source Projects

Open source projects categorized as Science Molecular Dynamics
Categories > Science > Molecular Dynamics
Categories > Science > Science
Mdanalysis ⭐ 1,154
MDAnalysis is a Python library to analyze molecular dynamics simulations.
dependent packages 111total releases 48most recent commit 3 months agopypi MDAnalysis} Downloads
Pyiron ⭐ 316
pyiron - an integrated development environment (IDE) for computational materials science.
total releases 685most recent commit 3 months ago
Freud ⭐ 248
Powerful, efficient particle trajectory analysis in scientific Python.
dependent packages 8total releases 30most recent commit 3 months agopypi freud-analysis} Downloads
Alchemlyb ⭐ 161
the simple alchemistry library
total releases 3most recent commit 4 months ago
Gromacswrapper ⭐ 154
GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2023 supported).
dependent packages 4total releases 15most recent commit 5 months agopypi GromacsWrapper} Downloads
Senpai ⭐ 124
Molecular dynamics simulation software
most recent commit 10 months ago
Pycgtool ⭐ 30
Generate coarse-grained molecular dynamics models from atomistic trajectories.
total releases 7most recent commit 2 years ago
Mdpow ⭐ 22
Calculation of water/solvent partition coefficients with Gromacs.
total releases 3most recent commit 7 months ago
Pydhamed ⭐ 17
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
most recent commit 6 years ago
Mdacli ⭐ 13
Command line interface for MDAnalysis
total releases 18most recent commit 7 months ago
Mdstudio ⭐ 10
A general framework for microservice based distributed applications
most recent commit 4 years ago
Alchemtest ⭐ 9
the simple alchemistry test set
most recent commit 9 months ago
Mdtools ⭐ 8
Scripts to prepare and analyze molecular dynamics simulations
most recent commit 3 months ago
Livecomsjournal.github.io ⭐ 6
Content for policy/instructional pages of the Living Journal of Computational Molecular Science (LiveCoMS)
most recent commit 6 months ago
Hop ⭐ 6
Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.
most recent commit 6 years ago
The 3 Most Depended On Science Molecular Dynamics Open Source Projects
Mdanalysis ⭐ 1,154
MDAnalysis is a Python library to analyze molecular dynamics simulations.
dependent packages 111total releases 48latest release December 02, 2023most recent commit 3 months agopypi MDAnalysis} Downloads
Freud ⭐ 248
Powerful, efficient particle trajectory analysis in scientific Python.
dependent packages 8total releases 30latest release November 28, 2023most recent commit 3 months agopypi freud-analysis} Downloads
Gromacswrapper ⭐ 154
GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2023 supported).
dependent packages 4total releases 15latest release September 16, 2023most recent commit 5 months agopypi GromacsWrapper} Downloads
The 8 Latest Releases In Science Molecular Dynamics Open Source Projects
Mdanalysis ⭐ 1,154
MDAnalysis is a Python library to analyze molecular dynamics simulations.
dependent packages 111total releases 48latest release December 02, 2023most recent commit 3 months agopypi MDAnalysis} Downloads
Freud ⭐ 248
Powerful, efficient particle trajectory analysis in scientific Python.
dependent packages 8total releases 30latest release November 28, 2023most recent commit 3 months agopypi freud-analysis} Downloads
Pyiron ⭐ 316
pyiron - an integrated development environment (IDE) for computational materials science.
total releases 685latest release November 18, 2023most recent commit 3 months ago
Gromacswrapper ⭐ 154
GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2023 supported).
dependent packages 4total releases 15latest release September 16, 2023most recent commit 5 months agopypi GromacsWrapper} Downloads
Alchemlyb ⭐ 161
the simple alchemistry library
total releases 3latest release November 02, 2022most recent commit 4 months ago
Mdacli ⭐ 13
Command line interface for MDAnalysis
total releases 18latest release April 12, 2022most recent commit 7 months ago
Pycgtool ⭐ 30
Generate coarse-grained molecular dynamics models from atomistic trajectories.
total releases 7latest release March 16, 2022most recent commit 2 years ago
Mdpow ⭐ 22
Calculation of water/solvent partition coefficients with Gromacs.
total releases 3latest release January 03, 2022most recent commit 7 months ago
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