Published 2026 | Version v2.0
Model Open

Goldilocks mMACE+MLP magnetism classifier

  • 1. UKRI STFC

Contributors

Project manager:

Researcher:

  • 1. UKRI STFC

Description

A frozen mMACE foundation model's pooled structure embedding, fed through a small MLP, predicting whether a periodic material's DFT ground state is magnetic. Trained on MatPES PBE; test ROC-AUC 0.986 on an in-distribution held-out split. This record bundles the classifier and the mMACE backbone it depends on, licensed CC-BY-4.0 by the training collaborator.

 

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README.md

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Additional details

Dates

Created
2026