M3GNet, 41 NEP, NequIP, SevenNet, and GAP. The atomate2 Q-Chem integration supports several fundamental tasks, including geometry optimization, single-point energy calculations, and frequency analysis. More sophisticated tasks, like potential energy surface (PES) scans and transition state optimizations, are also available. The interface with pymatgen facilitates these tasks through the InputGenerator and InputSet architecture. This design allows users to encapsulate all calculation settings into a QCInputGenerator class, which, when provided with a molecule from the pymatgen library, produces a complete set of Q-Chem inputs specific to that molecule.