M3GNet-PES-MatPES-PBE-2025.2

Introduction

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

Potential

matgl Potential model (version 3).

Usage

import matgl

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

Model Details

• Number of parameters: 288,157

Metrics

Split	Energy MAE (eV/atom)	Force MAE (eV/A)	Stress MAE (GPa)
Train	0.039029	0.158321	0.729370
Validation	0.042763	0.179450	0.870219
Test	0.043360	0.183160	0.868076

Metadata

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