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Teoroo-CMC avatar

Teoroo-CMC/PiNN

0
View on GitHub↗
127 stars·41 forks·Python·BSD-3-Clause·3 viewsteoroo-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.

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Open-source alternatives to PiNN

Similar open-source projects, ranked by how many features they share with PiNN.
  • lammps/lammpslammps avatar

    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.jlACEsuit avatar

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    Generic Codes for Fitting ACE models

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  • acesuit/maceACEsuit avatar

    ACEsuit/mace

    1,253View on 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.jlACEsuit avatar

    ACEsuit/ACE1.jl

    23View on 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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See all 30 alternatives to PiNN→

Frequently asked questions

What does teoroo-cmc/pinn do?

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.

What are the main features of teoroo-cmc/pinn?

The main features of teoroo-cmc/pinn are: Interatomic Potentials.

What are some open-source alternatives to teoroo-cmc/pinn?

Open-source alternatives to teoroo-cmc/pinn include: 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…