Simulate chemical processes using advanced thermodynamic models
data analysis and Visualization with matplotlib
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4
Integrals for Quantum Chemistry
Data Processing and Analysis for X-ray Spectroscopy and More