2D molecule editor
ShelXle is a Qt GUI for SHELXL
Software for molecular simulations and trajectory analysis
Generation of molecular formulas by high-resolution MS and MS/MS data
Time-dependent simulation of open and closed quantum systems
Program for molecular graphics
Easy manipulation of sdf molecular data files.
Large-scale Atomic/Molecular Massively Parallel Simulator
A tool to compute projections of membrane structures
A simple molecular weight calculator
Real Space Multigrid based electronic structure code.
A library to easily analyse output of the Heidelberg MCTDH code
OpenGrowth is a program which constructs de novo ligands for proteins.
Modern library for chemistry file reading and writing
calculates overlap, kinetic integrals for numerical atomic orbitals.
Open-source cross-platform spectrometer device driver