Hugging Face model: OneScience-Group/MACE
Author: OneScience-Group
Created: 2026-07-28 06:54:52
Last modified: 2026-07-31 07:24:26
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Tags: OneScience, MACE, machine-learning-potential, molecular-simulation, materials-computing, graph-neural-network, equivariant-neural-network, training, inference, en, dataset:OneScience-Group/DMC, dataset:OneScience-Group/ANI1x, dataset:OneScience-Group/water, dataset:OneScience-Group/nanotube, license:mit, region:us
Card metadata:
license: mit
tasks: materials-simulation, molecular-dynamics, energy-prediction, force-prediction
frameworks: pytorch
language: en
tags: OneScience, MACE, machine-learning-potential, molecular-simulation, materials-computing, graph-neural-network, equivariant-neural-network, training, inference
datasets: OneScience-Group/DMC, OneScience-Group/ANI1x, OneScience-Group/water, OneScience-Group/nanotube