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libAtoms avatar

libAtoms/workflow

0
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43 Stars·21 Forks·Python·GPL-2.0·5 Aufrufe

Workflow

Workflow is a Python toolkit for building interatomic potential creation and atomistic simulation workflows.

Features

  • Interatomic Potentials - Toolkit for building potential creation and simulation workflows.

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Open-Source-Alternativen zu Workflow

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  • acesuit/maceAvatar von ACEsuit

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    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 von ACEsuit

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Häufig gestellte Fragen

Was macht libatoms/workflow?

Workflow is a Python toolkit for building interatomic potential creation and atomistic simulation workflows.

Was sind die Hauptfunktionen von libatoms/workflow?

Die Hauptfunktionen von libatoms/workflow sind: Interatomic Potentials.

Welche Open-Source-Alternativen gibt es zu libatoms/workflow?

Open-Source-Alternativen zu libatoms/workflow sind unter anderem: 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…