README.md

metadata

title: MatGL SO3Net
emoji: 🔬
colorFrom: blue
colorTo: purple
sdk: docker
app_port: 7860

MatGL SO3Net

Material property prediction using SO3Net-ANI-1x-Subset-PES 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: SO3Net-ANI-1x-Subset-PES
• Library: MatGL
• Backend: DGL

Links

• MatGL Documentation
• MKC-Holmes Project