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Hafnium49/matgl-megnet-bandgap

sourceHugging Faceupdated 3mo agoView on Hugging Face
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App README

MatGL MEGNet Band Gap

Material property prediction using MEGNet-MP-2019.4.1-BandGap-mfi from the MatGL library.

API Endpoints

  • —Energy: Predict total and per-atom energy
  • —Forces: Predict atomic forces
  • —Stress: Predict stress tensor
  • —Health: Health check endpoint

Usage

Paste a CIF structure and click Predict to get material properties.

Model Information

  • —Model: MEGNet-MP-2019.4.1-BandGap-mfi
  • —Library: MatGL
  • —Backend: DGL

Links