Dataset for the paper 'Predicting mechanical properties of polycrystalline nanopillars by interpretable machine learning'

This dataset contains the data produced for the above paper. The dataset consists of: - input nanopillars before deformation (molecular_dynamics/nanopillars) - stress-strain curves acquired by deforming the nanopillars (molecular_dynamics/stress_strain_curves) - weights of the CNNs trained to predict mechanical properties of the nanopillars (machine_learning/train_CNN) - Grad-CAM fields of the predictions (machine_learning/train_CNN) Codes used for creating and analyzing the dataset are available at https://github.com/tekoivisto/nanopillar-ML