dataset inputs, outputs and force field validation data

The excel file contains: 1) the outputs of the AA simulations for DGEBA+PACM and DGEBA+D400 networks at varying DC, with two independent replicas for each system;2) the sets of input parameters of the non-bonded force field used to train the Gaussian Processes for the DGEBA+PACM and DGEBA+D400 systems;3) the outputs of the training CG simulations with a non-bonded force field based on the set of inputs mentioned at (2), with two independent replicas for each system;4) the numerical values of the force field parameters for the final simplified calibration (see Table 2 and Figure 4) at varying DC; 5) the outputs of the validation CG simulations with the final force field (see black stars in Figure5).