Spartan is a molecular modelling and computational chemistry application from Wavefunction. It contains code for molecular mechanics, semi-empirical methods, ab initio models, density functional models, post-Hartree–Fock models, thermochemical recipes including G3(MP2) and T1, and machine learning models like corrected MMFF and Est. Density Functional. Quantum chemistry calculations in Spartan are powered by Q-Chem.
- Website
- http://www.wavefun.com
