ECCE, the Extensible Computational Chemistry Environment: build molecules, set up and run NWChem, Gaussian, ORCA and MOPAC calculations on a workstation or cluster, and view the results. Linux, Windows and macOS. Originally developed at PNNL.
windows macos linux dft hpc wxwidgets slurm nwchem gaussian computational-chemistry quantum-chemistry orca hartree-fock mopac ecce pnnl molecular-modeling molecular-visualization chemistry-education
-
Updated
Oct 10, 2026 - C