An interactive viewer for three-dimensional chemical structures.
JavaScript-Based Molecular Viewer From Jmol
ShelXle is a Qt GUI for SHELXL
Generation of molecular formulas by high-resolution MS and MS/MS data
Program for molecular graphics
The BMRB library
Management and Analyzis of Gaussian Calculations
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
Easy manipulation of sdf molecular data files.
General purpose de novo molecular design software
Visualization of wavefunctions calculated by VASP (New release: v0.41)
NMR Product Operator Calculator
Software for Introductory Chemical Engineering Thermodynamics
A simple molecular weight calculator
Libraries and scripts for molecular modelling written in Perl
A web database for experimental results of research
a Toolset for Molecular Mechanical Force Field Parameterization
Spectroscopy Viewer
Generating cells for electronic structure calculations from CIF files
OpenGrowth is a program which constructs de novo ligands for proteins.