Software for molecular simulations and trajectory analysis
Time-dependent simulation of open and closed quantum systems
Adaptive analysis of amino acid alphabets
Generation of molecular formulas by high-resolution MS and MS/MS data
A simple molecular weight calculator
Real Space Multigrid based electronic structure code.
A library to easily analyse output of the Heidelberg MCTDH code
Modern library for chemistry file reading and writing
Sample code for Ocean Optics OmniDriver spectrometer device driver
An intuitive molecular editor and visualization tool
Former home of the Virtual Cell platform (VCell), see http://vcell.org
Open-Source Cheminformatics and Machine Learning
Extremely fast NGS read counter
Polymer simulation utilites
For comparison of simulation and experimental scattering data