Analysis, visualization, edition of 3D atomistic models
Approximate solvation free energy calculator
ASALI is an open-source code for chemical engineers
Management and Analyzis of VASP calculations
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
Massively parallel software for quantum chemistry calculations
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
General purpose de novo molecular design software
Real Space Multigrid based electronic structure code.
Biomolecular electrostatics software
XDrawChem is an application for chemistry drawing and analysis.
Simulation of EPR spectra of nitroxide biradicals
gMol molecular graphics