Dataset for: Disorder-enhanced transport across MoS2-WS2 lateral interfaces

Overview: Data and scripts for the publication "Disorder-enhanced transport across MoS2-WS2 lateral interfaces." DeePTB v2.2.1 was used for this project. https://doi.org/10.1103/q7r4-5zl6 Dataset Contents: nnsk_WMoS.pth is the final trained Slater-Koster DeePTB model. run/ includes the json files for model training and validation. scripts/ includes all python scripts necessary to reproduce the figures in the main text. training_data/ includes all processed DFT eigenvalues and geometries as used in training. transport_data/ includes all structures used in the transport calculations for the paper as well as summarized outputs in the .csv files.