ML_AB datasets - Hydorated covalent organic framework

RPBE+D3 datasets for hydrated COFs in the VASP ML_AB format. It includes reference structures, energy, forces, and the stress tensor. File name COF side chain length water uptake ML_AB_S3_0_1 COF-S3 0 1 ML_AB_S3_0_2 COF-S3 0 2 ML_AB_S3_0_4 COF-S3 0 4 ML_AB_S3_1_1 COF-S3 1 1 ML_AB_S3_1_2 COF-S3 1 2 ML_AB_S3_2_1 COF-S3 2 1 ML_AB_S3_2_2 COF-S3 2 2 ML_AB_S3_3_2 COF-S3 3 2 ML_AB_S6_0_05 COF-S6 0 0.5 ML_AB_S6_0_1 COF-S6 0 1 ML_AB_S6_0_2 COF-S6 0 2 ML_AB_S6_1_05 COF-S6 1 0.5 ML_AB_S6_1_1 COF-S6 1 1 ML_AB_S6_1_2 COF-S6 1 2 ML_AB_S6_2_1 COF-S6 2 1 ML_AB_S6_3_1 COF-S6 3 1