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RowleyGroup avatar

RowleyGroup/MLXDM

0
View on GitHub↗
9 stars·2 forks·Python·MIT·4 views

MLXDM

  1. Overview 2. Repo Contents 3. System Requirements 4. Installation Guide 5. Demos and Expected Results 6. License 7. Citation

Features

  • Interatomic Potentials - Neural network potential with long-range dispersion treatment.

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Open-source alternatives to MLXDM

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

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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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    Generic Codes for Fitting ACE models

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  • acesuit/maceACEsuit avatar

    ACEsuit/mace

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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.jlACEsuit avatar

    ACEsuit/ACE1.jl

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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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Frequently asked questions

What does rowleygroup/mlxdm do?

1. Overview 2. Repo Contents 3. System Requirements 4. Installation Guide 5. Demos and Expected Results 6. License 7. Citation

What are the main features of rowleygroup/mlxdm?

The main features of rowleygroup/mlxdm are: Interatomic Potentials.

What are some open-source alternatives to rowleygroup/mlxdm?

Open-source alternatives to rowleygroup/mlxdm 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…