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ACEsuit avatar

ACEsuit/mace

0
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1,253 stars·449 forks·Python·4 vues

Mace

MACE - Table of contents - About MACE - Documentation - Installation - pip installation - pip installation from source - Usage - Training - Evaluation - Tutorials - CUDA acceleration with cuEquivariance - Weights and Biases for experiment tracking - Pretrained Foundation Models - MACE-MP:…

Features

  • Equivariant Applications - Higher-order message passing networks for molecular force field prediction.
  • Equivariant Neural Networks - Higher order equivariant graph neural networks for 3D point clouds.
  • Interatomic Potentials - Fast equivariant message passing for interatomic potentials.

Historique des stars

Graphique de l'historique des stars pour acesuit/maceGraphique de l'historique des stars pour acesuit/mace

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Questions fréquentes

Que fait acesuit/mace ?

MACE - Table of contents - About MACE - Documentation - Installation - pip installation - pip installation from source - Usage - Training - Evaluation - Tutorials - CUDA acceleration with cuEquivariance - Weights and Biases for experiment tracking - Pretrained Foundation Models - MACE-MP:…

Quelles sont les fonctionnalités principales de acesuit/mace ?

Les fonctionnalités principales de acesuit/mace sont : Equivariant Applications, Equivariant Neural Networks, Interatomic Potentials.

Quelles sont les alternatives open-source à acesuit/mace ?

Les alternatives open-source à acesuit/mace incluent : lammps/lammps — This project is a parallel simulation engine and molecular dynamics simulator designed to model the physical movements… acesuit/acefit.jl — Generic Codes for Fitting ACE models. aiqm/torchani — TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network… apax-hub/apax — apax[^1][^2] is a high-performance, extendable package for training of and inference with atomistic neural networks.… atomicarchitects/equiformer — Paper | OpenReview | Poster | Slides. acesuit/ace1.jl — Notes: This is currently a development branch of ACE (though we are still tagging versions regularly). For the latest…

Alternatives open source à Mace

Projets open source similaires, classés selon le nombre de fonctionnalités partagées avec Mace.
  • lammps/lammpsAvatar de lammps

    lammps/lammps

    2,783Voir sur 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

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  • acesuit/acefit.jlAvatar de ACEsuit

    ACEsuit/ACEfit.jl

    8Voir sur GitHub↗

    Generic Codes for Fitting ACE models

    Julia
    Voir sur GitHub↗8
  • aiqm/torchaniAvatar de aiqm

    aiqm/torchani

    548Voir sur GitHub↗

    TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained by the Roitberg group.

    Python
    Voir sur GitHub↗548
  • acesuit/ace1.jlAvatar de ACEsuit

    ACEsuit/ACE1.jl

    23Voir sur GitHub↗

    Notes: This is currently a development branch of ACE (though we are still tagging versions regularly). For the latest stable version see DEV-v0.8.x Preliminary Documentation, WIP.

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Voir les 30 alternatives à Mace→