into the new version of the package; iii) discuss a novel application of QMD-FF in computational spectroscopy, and its possible impact on multiscale approaches. To this end, seven different target molecules, sketched in Figure , were parameterized with the new JOYCE3.0 code, and the resulting QMD-FFs were employed in MD simulations to retrieve selected structural, thermodynamic or spectroscopic properties of molecular as well as bulk morphologies. Such a selection is intended to show the general applicability of the JOYCE3.0 protocol, which can now be straightforwardly applied to remarkably different molecular targets, yet yielding consistent and highly accurate force-fields, which will be shown to outperform the performances delivered the parameterization protocol starts from the sole knowledge of the target molecule's chemical structure (top left corner). The latter is described in terms of internal coordinates (ICs), i.e. a collection of bond lengths, bond angles, dihedrals and selected intra-molecular distances. As discussed in the next sections, an important update with respect to the previous implementations of the code, consists in a direct generation of the target IC's, that are automatically prepared and classified by the new JOYCE3.0 package, or by user's selection. Once all involved IC's have been automatically classified and selected, and possibly hand-refined by the user, the JOYCE3.0 protocol retrieves all parameters for the preparation of the QMD-FF, by deriving them from selected molecular descriptors purposely computed for the target at the QM level. This step is represented by the green color boxes in the upper part of Figure . It is important to mention that, while the previous versions of the code were interfaced only with QM data obtained by the GAUSSIAN16 software, in the JOYCE3.0 package the QM data can now be obtained using several popular packages suited for electronic structure calculations, such as ORCA, GAMESS, Psi4, (Open)Molcas and others. Concretely, the accepted format of the QM database has been extended from the GAUSSIAN16 .fchk, to the F C classes3 native .fcc format, which includes the geometry, the energy, the gradient and the Hessian matrix. Such files can be automatically obtained from the output of the aforementioned electronic structure codes through the interconversion package fcc tools, recently distributed by some of us. A detailed description of the .fcc format can be found in Section S1 of the Supporting Information.