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SE5095_course_project

Physics-guided CNN for bandgap property prediction

CNN_bandgap_multi_batch.ipynb: Main code for PCNN

STRUC.mat: Structures (pixelated) stored in mat file

Physics_informed_NN/Property/....: Properties matrices related to bandgap, this file is large, please use the following link to download: https://drive.google.com/file/d/1AUC7ZZEff6_gD4OHl5C-uN2zTPkokIvu/view?usp=sharing

Input: STRUC.mat

Output: dispersion curves stored in Property folder.