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brucefan1983 avatar

brucefan1983/GPUMD

0
View on GitHub↗
794 stars·192 forks·Cuda·GPL-3.0·10 viewsgpumd.org/dev↗

GPUMD

Copyright (2017) Zheyong Fan. This is the GPUMD software package. This software is distributed under the GNU General Public License (GPL) version 3.

Features

  • Molecular Dynamics - Efficient molecular dynamics package supporting machine-learned potentials.

Star history

Star history chart for brucefan1983/gpumdStar history chart for brucefan1983/gpumd

How this analysis was created: This summary and feature list are AI-generated from collected project material and can contain mistakes. Stars, license and language are imported from GitHub. Inclusion does not mean that we have tested or audited this project. Check the source documentation for any feature you depend on. Learn more on our About page.

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Projects sharing features with GPUMD

These projects share indexed features with GPUMD. Shared tags can include platform or build tooling; verify the primary use case before treating a result as a replacement.
  • lammps/lammpslammps avatar

    lammps/lammps

    2,783View on GitHub↗

    This project is a parallel simulation engine and molecular dynamics simulator designed to model the physical movements of atoms and molecules. It functions as an interatomic potential framework for calculating forces between particles and a materials analysis tool for computing thermodynamic, structural, and transport properties of solids and fluids. The engine is distinguished by its high-performance computing capabilities, utilizing spatial-domain decomposition and message-passing interface communication to distribute workloads across processors. It supports multi-backend GPU acceleration v

    C++kokkoslammpsmolecular-dynamics
    View on GitHub↗2,783
  • fitsnap/fitsnapFitSNAP avatar

    FitSNAP/FitSNAP

    186View on GitHub↗

    A Python package for machine learning potentials with LAMMPS.

    Python
    View on GitHub↗186
  • icams/lammps-user-paceICAMS avatar

    ICAMS/lammps-user-pace

    33View on GitHub↗

    You could get the supported version of LAMMPS from GitHub repository

    C++
    View on GitHub↗33
  • deepmodeling/dmffdeepmodeling avatar

    deepmodeling/DMFF

    197View on GitHub↗

    DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models. This project aims to establish an extensible codebase to minimize the efforts in force field parameterization, and to ease the force and…

    Python
    View on GitHub↗197
Compare all 12 related projects→

Frequently asked questions

What does brucefan1983/gpumd do?

Copyright (2017) Zheyong Fan. This is the GPUMD software package. This software is distributed under the GNU General Public License (GPL) version 3.

What are the main features of brucefan1983/gpumd?

The main features of brucefan1983/gpumd are: Molecular Dynamics.

Which projects share features with brucefan1983/gpumd?

Projects with overlapping indexed features include: lammps/lammps — This project is a parallel simulation engine and molecular dynamics simulator designed to model the physical movements… deepmodeling/dmff — DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable… fitsnap/fitsnap — A Python package for machine learning potentials with LAMMPS. icams/lammps-user-pace — You could get the supported version of LAMMPS from GitHub repository. initqp/somd — SOMD is an ab-initio molecular dynamics (AIMD) package designed for the SIESTA DFT code. The SOMD code provides some… jax-md/jax-md — Quickstart | Reference docs | Paper | NeurIPS 2020.