The Stereo Signature Molecular Descriptor
Generates highly configurable bohr models
Open Office / Libre Office Steam tables
small and smart peptide array generator, considering time complexity.
Analyze output of NBO computations
Interactive program for evaluation of Laue diffraction patterns
Calculate the concentration of Urea or Guanidine in solution.
conversion of molecular geometry files
Parallelized calculation of molecular similarities
Massively Parallel Quantum Chemistry program
An open-source quantum chemistry program package
ISL Solid-Liquid Equilibrium Calculator