Approximate solvation free energy calculator
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
Massively parallel software for quantum chemistry calculations
Large-scale Atomic/Molecular Massively Parallel Simulator
General purpose de novo molecular design software
Biomolecular electrostatics software
Simulation of EPR spectra of nitroxide biradicals
gMol molecular graphics
Interpretation of Biomolecular MD simulations
Data Processing and Analysis for X-ray Spectroscopy and More