aarontools (pypi): Tools for measuring and manipulating molecular structures
Keywords: computational|chemistry|utility|catalysis|compchem|computational-chemistry|density-functional-theory|dft|dft-calculations|gaussian|ir-spectra|orca-quantum-chemistry|psi4|python|quantum-chemistry|quantum-chemistry-automation|quasi-harmonic-approximation|rrho|steric-parameters|sterimol-parameters|thermochemistry|vibrational-entropies