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Teoroo-CMC/PiNN

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127 stars·41 forks·Python·BSD-3-Clause·3 vuesteoroo-cmc.github.io/PiNN↗

PiNN

PiNN 1 is a Python library built on top of TensorFlow for building atomic neural network potentials. The PiNN library also provides elemental layers and abstractions to implement various atomic neural networks.

Features

  • Interatomic Potentials - Python library for building atomic neural networks.

Historique des stars

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Alternatives open source à PiNN

Projets open source similaires, classés selon le nombre de fonctionnalités partagées avec PiNN.
  • 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

    1,253Voir sur 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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    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 PiNN→

Questions fréquentes

Que fait teoroo-cmc/pinn ?

PiNN 1 is a Python library built on top of TensorFlow for building atomic neural network potentials. The PiNN library also provides elemental layers and abstractions to implement various atomic neural networks.

Quelles sont les fonctionnalités principales de teoroo-cmc/pinn ?

Les fonctionnalités principales de teoroo-cmc/pinn sont : Interatomic Potentials.

Quelles sont les alternatives open-source à teoroo-cmc/pinn ?

Les alternatives open-source à teoroo-cmc/pinn 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. 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…