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The Top 23 C Plus Plus Molecular Dynamics Open Source Projects

Open source projects categorized as C Plus Plus Molecular Dynamics
Categories > Programming Languages > C Plus Plus
Categories > Science > Molecular Dynamics
Lammps ⭐ 1,944
Public development project of the LAMMPS MD software package
dependent packages 1total releases 10most recent commit 3 months ago
Deepmd Kit ⭐ 1,303
A deep learning package for many-body potential energy representation and molecular dynamics
dependent packages 2total releases 44most recent commit 3 months agopypi deepmd-kit} Downloads
Plumed2 ⭐ 308
Development version of plumed 2
dependent packages 2total releases 13most recent commit 3 months ago
Hoomd Blue ⭐ 298
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
dependent packages 1total releases 15most 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
Espresso ⭐ 206
The ESPResSo package
most recent commit 3 months ago
Viamd ⭐ 191
Visual Interactive Analysis of Molecular Dynamics
most recent commit 3 months ago
Colvars ⭐ 167
Collective variables module for molecular simulation and analysis programs
most recent commit 3 months ago
Loos ⭐ 114
LOOS: a lightweight object-oriented structure analysis library
total releases 2most recent commit 3 months ago
Mcmd ⭐ 74
Monte Carlo and Molecular Dynamics Simulation Package
most recent commit 3 months ago
Openmd ⭐ 68
Molecular Dynamics in the Open
most recent commit 4 months ago
Nnpops ⭐ 60
High-performance operations for neural network potentials
total releases 1most recent commit 9 months ago
Pyscal ⭐ 55
Python library written in C++ for calculation of local atomic structural environment
dependent packages 2total releases 34most recent commit 3 months ago
Solarsystem ⭐ 49
A solar system simulator with Verlet, using OpenGL for displaying.
most recent commit a year ago
P4vasp ⭐ 46
p4vasp, the VASP Visualization Tool
most recent commit 5 years ago
Tinker9 ⭐ 44
Tinker9: Next Generation of Tinker with GPU Support
most recent commit 5 months ago
Prophet ⭐ 43
PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
most recent commit 6 years ago
Votca ⭐ 40
The source of the votca-csg and xtp packages
total releases 2most recent commit 3 months ago
Minimd ⭐ 34
MiniMD Molecular Dynamics Mini-App
most recent commit 2 years ago
Mgmol ⭐ 30
MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calculations and molecular dynamics simulations of atomistic systems.
most recent commit 5 months ago
Seams Core ⭐ 29
The d-SEAMS C++ core engine
most recent commit 8 months ago
Qball ⭐ 27
Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.
most recent commit 4 years ago
Fahbench ⭐ 27
Folding@home GPU benchmark
most recent commit 4 years ago
The 6 Most Depended On C Plus Plus Molecular Dynamics Open Source Projects
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
Plumed2 ⭐ 308
Development version of plumed 2
dependent packages 2total releases 13latest release October 21, 2022most recent commit 3 months ago
Deepmd Kit ⭐ 1,303
A deep learning package for many-body potential energy representation and molecular dynamics
dependent packages 2total releases 44latest release October 27, 2023most recent commit 3 months agopypi deepmd-kit} Downloads
Pyscal ⭐ 55
Python library written in C++ for calculation of local atomic structural environment
dependent packages 2total releases 34latest release October 14, 2022most recent commit 3 months ago
Lammps ⭐ 1,944
Public development project of the LAMMPS MD software package
dependent packages 1total releases 10latest release October 13, 2022most recent commit 3 months ago
Hoomd Blue ⭐ 298
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
dependent packages 1total releases 15latest release October 25, 2022most recent commit 3 months ago
The 10 Latest Releases In C Plus Plus Molecular Dynamics Open Source Projects
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
Deepmd Kit ⭐ 1,303
A deep learning package for many-body potential energy representation and molecular dynamics
dependent packages 2total releases 44latest release October 27, 2023most recent commit 3 months agopypi deepmd-kit} Downloads
Loos ⭐ 114
LOOS: a lightweight object-oriented structure analysis library
total releases 2latest release November 01, 2022most recent commit 3 months ago
Hoomd Blue ⭐ 298
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
dependent packages 1total releases 15latest release October 25, 2022most recent commit 3 months ago
Plumed2 ⭐ 308
Development version of plumed 2
dependent packages 2total releases 13latest release October 21, 2022most recent commit 3 months ago
Pyscal ⭐ 55
Python library written in C++ for calculation of local atomic structural environment
dependent packages 2total releases 34latest release October 14, 2022most recent commit 3 months ago
Lammps ⭐ 1,944
Public development project of the LAMMPS MD software package
dependent packages 1total releases 10latest release October 13, 2022most recent commit 3 months ago
Votca ⭐ 40
The source of the votca-csg and xtp packages
total releases 2latest release April 14, 2022most recent commit 3 months ago
Nnpops ⭐ 60
High-performance operations for neural network potentials
total releases 1latest release March 15, 2022most recent commit 9 months ago
Clustering ⭐ 12
Robust and stable clustering of molecular dynamics simulation trajectories.
total releases 2latest release October 12, 2020most recent commit 2 years ago
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