Simulate chemical processes using advanced thermodynamic models
data analysis and Visualization with matplotlib
a Toolset for Molecular Mechanical Force Field Parameterization
Collaborative Computing Project for NMR (CCPN)
An intuitive molecular editor and visualization tool
Analyze molecular simulation data
Phase Sensitive Detection and Modulated Enhanced Diffraction Software
Data Processing and Analysis for X-ray Spectroscopy and More
Python script that converts regular zmatrix to orca-zmatrix format.