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m3gnet

The premium Open Source alternative to Matlantis

🎯 Best for:Researchers performing high-throughput screening of crystal structures.
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BSD-3-ClauseLicense

What is m3gnet?

Replaces DFT-based structural relaxation tools with neural networks. Employs graph neural networks with 3-body interactions to predict properties and relax crystal structures.

Tech Stack
PythonChemistry & Materials

Why m3gnet?

  • • Universal potential for many elements
  • • Integrated with MatEvolve for discovery
  • • Significant speedup over ab initio methods

Limitations

  • • Accuracy limited by training data
  • • TensorFlow dependency can be rigid
  • • Requires careful validation for new phases
3/4/2026
Last Update
74
Forks
15
Issues
BSD-3-Clause
License
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Competitor Cost
-$1,440
/ year (est. based on Matlantis)
Self-Hosted
$0
/ year
Team Size10 Users
150+
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