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materialyze/M3GNet-PES-MatPES-r2SCAN-2025.2

sourceHugging Faceupdated 5mo agoView on Hugging Face

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Model Card

M3GNet-PES-MatPES-r2SCAN-2025.2

Pre-trained M3GNet foundation potential, i.e., universal machine learning interatomic potential trained on the MatPES-r2SCAN-2025.2 dataset.

matgl Potential model (version 3).

python

import matgl

model = matgl.load_model("materialyze/M3GNet-PES-MatPES-r2SCAN-2025.2")

Split	Energy MAE (eV/atom)	Force MAE (eV/A)	Stress MAE (GPa)
Train	0.038077	0.182023	0.782178
Validation	0.043321	0.212659	0.946295
Test	0.043492	0.218427	0.976025

json

{
  "dataset": "MatPES-r2SCAN-2025.2",
}