CNN : CNN Radical Collection of spectroscopic data: vibrational frequencies, rotational constants, electronic energies, and enthalpies of formation. Calculation of thermodynamic properties as a func
CNN : CNN Radical Collection of spectroscopic data: vibrational frequencies, rotational constants, electronic energies, and enthalpies of formation. Calculation of thermodynamic properties as a func
The data-set required to reproduce the study ''Nikolic F., Canadjija M., Deep Learning of Structure-Property Relationships: an Application to Temperature-Dependent Stress-Strain Curves'' consist of th