Dynamics of quantum systems, controlled by external fields
Integrals for Quantum Chemistry
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
Open-Source Cheminformatics and Machine Learning
Periodic Table of Elements a quick reference tool
Graphic molecular dynamic package.
a mass spectrometry–based proteomics database search algorithm
Computes Accurate Fourier Transform via Explicit Integration not FFT
Calculates Hamaker coefficient,interaction free energy,force,torque.
Avalon Toolkit for SMILES-based cheminformatics services
An interactive periodic table of elements, with a Bohr Model generator
A Tk frontend to MD trajectories analysis program carma
Magneto is a wxWidgets based viewer for NMR spectra.
A tool for Navigating in Chemical Space
The Stereo Signature Molecular Descriptor