An interactive viewer for three-dimensional chemical structures.
ShelXle is a Qt GUI for SHELXL
JavaScript-Based Molecular Viewer From Jmol
Time-dependent simulation of open and closed quantum systems
Print Steam Tables; Plot diagrams and cycles from equations of state
Visualization of wavefunctions calculated by VASP (New release: v0.41)
NMR Product Operator Calculator
GUI for fitting 3D single-molecule images using the double-helix PSF
CueMol - Molecular Visualization Framework
C++ code for object-oriented formulation of scientific experiments
ConvertMAS converts Chemical File Formats mol, mol2 and sdf.
Comprehensive thermal analysis software package
The Stereo Signature Molecular Descriptor
HTML5 program for drawing and editting molecular structures
nwbas2ecce converts nwchem basis set files to the ECCE format
Isotopic pattern calculator in python 2.x