ORCA-GUI-V3: A Teaching-Oriented Graphical Interface for ORCA Quantum Chemistry Calculations

ORCA-GUI-V3 is an updated and independent graphical interface for educational and research use with ORCA quantum chemistry calculations. It assists students and researchers in introducing molecular structures via a SMILES molecular library or XYZ-file import, preparing input files, selecting functional/basis-set computational methods, running calculations, generating cube files and trajectories, and visualizing selected outputs. The software does not include or redistribute ORCA and requires a separately installed, licensed copy of ORCA. 

 To my knowledge, it is the first-ever GUI dedicated to the worldwide ORCA software package, developed by Prof. Frank Neese and his colleagues.