ppdebreuck/modnet
MODNet: a framework for machine learning materials properties
This tool helps materials scientists and engineers predict properties of new materials without extensive lab testing. You provide either the chemical composition or the crystal structure of a material, and it outputs predictions for various material properties. It's especially useful for researchers working with small datasets who need accurate property predictions.
106 stars. No commits in the last 6 months. Available on PyPI.
Use this if you need to predict properties like refractive index or vibrational thermodynamics for new materials, especially when you have limited experimental data.
Not ideal if you are looking for a general-purpose machine learning framework not specifically tailored for materials science or if your primary input is not material composition or crystal structure.
Stars
106
Forks
35
Language
Jupyter Notebook
License
MIT
Category
Last pushed
May 02, 2025
Commits (30d)
0
Dependencies
6
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