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deepmodeling avatar

deepmodeling/deepmd-kit

0
View on GitHub↗
1,970 estrellas·626 forks·Python·LGPL-3.0·11 vistasdocs.deepmodeling.com/projects/deepmd↗

Deepmd Kit

A deep learning package for many-body potential energy representation and molecular dynamics

Features

  • Interatomic Potentials - Deep learning package for many-body potential energy representation.

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Alternativas open-source a Deepmd Kit

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  • lammps/lammpsAvatar de lammps

    lammps/lammps

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    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

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    Generic Codes for Fitting ACE models

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  • acesuit/maceAvatar de ACEsuit

    ACEsuit/mace

    1,253Ver en GitHub↗

    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:…

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  • acesuit/ace1.jlAvatar de ACEsuit

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    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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Ver las 30 alternativas a Deepmd Kit→

Preguntas frecuentes

¿Qué hace deepmodeling/deepmd-kit?

A deep learning package for many-body potential energy representation and molecular dynamics

¿Cuáles son las características principales de deepmodeling/deepmd-kit?

Las características principales de deepmodeling/deepmd-kit son: Interatomic Potentials.

¿Qué alternativas de código abierto existen para deepmodeling/deepmd-kit?

Las alternativas de código abierto para deepmodeling/deepmd-kit incluyen: 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. acesuit/mace — MACE - Table of contents - About MACE - Documentation - Installation - pip installation - pip installation from source… 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.… acesuit/ace1.jl — Notes: This is currently a development branch of ACE (though we are still tagging versions regularly). For the latest…