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The Top 20 Molecular Dynamics Gromacs Open Source Projects

Open source projects categorized as Molecular Dynamics Gromacs
Categories > Gromacs
Categories > Science > Molecular Dynamics
Colvars ⭐ 167
Collective variables module for molecular simulation and analysis programs
most 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 15most recent commit 5 months agopypi GromacsWrapper} Downloads
Pytim ⭐ 68
a python package for the interfacial analysis of molecular simulations
dependent packages 1total releases 18most recent commit 4 months agopypi pytim} Downloads
Mdbenchmark ⭐ 67
Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
total releases 15most recent commit a year ago
Votca ⭐ 40
The source of the votca-csg and xtp packages
total releases 2most recent commit 3 months ago
Pycgtool ⭐ 30
Generate coarse-grained molecular dynamics models from atomistic trajectories.
total releases 7most recent commit 2 years ago
Visualdynamics ⭐ 23
Web Platform made with Python and NextJS for automating GROMACS simulations
most recent commit 3 months ago
Mdpow ⭐ 22
Calculation of water/solvent partition coefficients with Gromacs.
total releases 3most recent commit 7 months ago
Gromacs Fda ⭐ 22
Force Distribution Analysis (FDA) for GROMACS
most recent commit 9 months ago
Swarm Cg ⭐ 17
Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
total releases 23most recent commit 3 years ago
Peggenerator ⭐ 17
Generate PEG topology for GROMACS and LAMMPS
most recent commit 4 months ago
Nmrformd ⭐ 16
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
total releases 9most recent commit 3 months ago
Longbow ⭐ 14
Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.
most recent commit 4 years ago
Complexmixtures.jl ⭐ 12
Package to perform minimum-distance distribution analyses of complex solute-solvent interactions
most recent commit 4 months ago
Md Alaninedipeptide ⭐ 11
Molecular Dynamics Simulation of Alanine Dipeptide and Dihedral Angle Analysis
most recent commit 4 months ago
Paratemp ⭐ 10
A package for molecular dynamics analysis and parallel tempering in GROMACS
most recent commit 3 years ago
Gromacs On Colab ⭐ 8
Google Colab notebooks for running molecular dynamics simulations with GROMACS
most recent commit 6 months ago
Gromacstutorials.github.io ⭐ 7
Repository of the gromacstutorials webpage
most recent commit 4 months ago
Dcdfort ⭐ 5
Modern Fortran toolkit for reading in and analyzing DCD simulation trajectories output from LAMMPS
most recent commit 4 years ago
Peptidesim ⭐ 5
Automated peptide simulation tool with gromacs, gromacswrapper, plumed
most recent commit 3 years ago
The 2 Most Depended On Molecular Dynamics Gromacs Open Source Projects
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
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
The 8 Latest Releases In Molecular Dynamics Gromacs Open Source Projects
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
Votca ⭐ 40
The source of the votca-csg and xtp packages
total releases 2latest release April 14, 2022most recent commit 3 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
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
Mdpow ⭐ 22
Calculation of water/solvent partition coefficients with Gromacs.
total releases 3latest release January 03, 2022most recent commit 7 months ago
Mdbenchmark ⭐ 67
Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
total releases 15latest release October 09, 2020most recent commit a year ago
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