2D molecule editor
ShelXle is a Qt GUI for SHELXL
Approximate solvation free energy calculator
Generation of molecular formulas by high-resolution MS and MS/MS data
Software for molecular simulations and trajectory analysis
Open-source online virtual screening tools for large databases
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
Easy manipulation of sdf molecular data files.
Massively parallel software for quantum chemistry calculations
Large-scale Atomic/Molecular Massively Parallel Simulator
Toxicity prediction for chemical compounds
An Open Source "product catalogue" that is customizable and versatile.
A simple molecular weight calculator
Open source electronic lab notebook (ELN) for scientists
Real Space Multigrid based electronic structure code.