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This repository contains all datasets and Python source code used to develop, train, and validate ComposiLator, a hybrid AI–mechanistic framework for experiment-free prediction of elastic, shear, and bulk moduli of polymer composites. It includes literature-derived experimental data, descriptor files, preprocessing scripts, and the full prediction workflow accompanying the associated manuscript. A few shear and bulk moduli in this dataset were calculated from reported Young’s modulus and Poisson’s ratio using standard isotropic elasticity relations.

创建时间:
2025-12-08
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