lamalab-org/PolyMetriX
PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.
PolyMetriX helps polymer scientists and chemists develop machine learning models to understand and predict polymer properties. You input polymer structures, often as simplified molecular-input line-entry system (SMILES) strings, and the tool outputs numerical features and models that reveal how a polymer's structure influences its characteristics, like glass transition temperature. This is for researchers and engineers in polymer science and materials informatics.
Use this if you are a polymer chemist or materials scientist looking to leverage machine learning to discover structure-property relationships in polymers or compare polymer characteristics with small molecules.
Not ideal if you are working with small molecules exclusively or need a general-purpose machine learning library not specialized for polymer informatics.
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Language
Python
License
MIT
Category
Last pushed
Nov 17, 2025
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