GPUMD

Graphics Processing Units Molecular Dynamics

Stars

363

Forks

107

Language

Cuda

Last Updated

May 09, 2024

Similar Repos
Repo Language Stars Description Updated At
Cuda 18 Graphics Processing Units Genetic Algorithm May 06, 2023
Python 2 Molecular dynamics simulator. Mar 28, 2020
C++ 2 Molecular dynamics project Jun 28, 2018
C++ 2 Repository to "general-purpose computing on graphics processing units" projects. Jan 03, 2022
C++ 2 Basic molecular dynamics implementation Jan 14, 2022
Python 3 Molecular dynamics in Python Jul 12, 2022
C 115 Molecular dynamics simulation software May 17, 2022
Python 150 Pytorch differentiable molecular dynamics May 12, 2023
Fortran 3 Relativistic molecular dynamics simulation Dec 15, 2022
None 2 Molecular dynamics simulation software Jan 27, 2021
Python 7 molecular dynamics, with Fireworks! May 14, 2022
Haskell 3 Molecular Dynamics in Haskell Mar 28, 2023
TeX 8 High Performance Computing on Graphics Processing Units, Mean Shift Image Segmentation Dec 27, 2021
Python 7 Machine learning for molecular dynamics Jul 28, 2022
Jupyter Notebook 789 Differentiable, Hardware Accelerated, Molecular Dynamics Aug 07, 2022
Python 5 Learning Molecular Dynamics with LAMMPS Mar 11, 2023
Tcl 29 Jupyter Notebooks for Molecular Dynamics Jun 30, 2022
Python 2 dissipation corrected targeted molecular dynamics May 23, 2022
C++ 5 Molecular Dynamics Trajectory Analysis Tools Jun 21, 2022
C 26 Classical molecular dynamics proxy application. Oct 06, 2022
Jupyter Notebook 155 Deep learning meets molecular dynamics. May 16, 2023
C 2 Classical molecular dynamics proxy application. Nov 15, 2023
Jupyter Notebook 62 Unsupervised learning of atomic scale dynamics from molecular dynamics. Sep 21, 2022
Python 9 model builder for molecular dynamics simulations Apr 20, 2023
Fortran 65 ab-initio nonadiabatic molecular dynamics program Mar 05, 2023
Assembly 3 A simple modular molecular dynamics benchmark Jan 25, 2023
C++ 9 Code to analyze molecular dynamics trajectory Mar 09, 2023
Mathematica 2 basic monte carlo and molecular dynamics Mar 22, 2023
C++ 36 Molecular dynamics trajectory analysis in Tensorflow Feb 13, 2023
Python 81 Phonon anharmonicity analysis from molecular dynamics Apr 24, 2023
C++ 3 Constant Chemical Potential Molecular Dynamics Simulations Jan 27, 2023
Jupyter Notebook 4 Molecular Dynamics with namd2 and python Nov 27, 2022
Python 2 Molecular dynamics simulations of ultracold plasmas. Mar 28, 2022
C++ 17 Random Acceleration Molecular Dynamics in GROMACS Mar 11, 2023
JavaScript 2 A molecular dynamics written in javascript Sep 30, 2023
Python 3 Fitting interatomic potential for molecular dynamics Apr 12, 2023
Python 322 Molecular Processing Made Easy. May 10, 2023
None 2 Molecular Processing Made Easy. Jun 02, 2023
Jupyter Notebook 4 Molecular Dynamics web scrapper 🔎🔧📄 May 25, 2022
Fortran 242 libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org Aug 15, 2022
None 2 Repository for Molecular Dynamics course 2021-2022 Feb 24, 2022
HTML 5 Interactive Molecular Dynamics Simulation in the Browser Apr 09, 2021
Python 4 The Energy Expression Exchange for Molecular Dynamics. Mar 27, 2022
Fortran 116 Packmol - Initial configurations for molecular dynamics simulations Nov 26, 2022
Rust 2 A molecular dynamics simulator written in Rust Apr 06, 2023
C++ 18 Molecular dynamics proxy application based on Cabana Oct 13, 2022
C++ 24 Molecular dynamics proxy application based on Kokkos Nov 15, 2022
Python 25 Neural relational inference for molecular dynamics simulations May 04, 2023
Python 5 Investigate molecular dynamics by elastic network models Jan 19, 2023
Jupyter Notebook 3 Quasi-anharmonic analysis of molecular dynamics simulations Jun 02, 2021