Simulate chemical processes using advanced thermodynamic models
The Open Source CFD Toolbox
A Free, complete, enterprise grade, open source exam management system
A software package for processing and analyzing chemical trajectories
Molecular dynamics by NMR data analysis
Approximate solvation free energy calculator
Water & steam properties Java library
A Raman spectra library with search and storage function.
Open source software to fit Xray photoelectron spectroscopy (XPS) data
Analysis, visualization, edition of 3D atomistic models
Crystallographic software for displaying voxel maps - electron density
Materials and Computational Chemistry applications on HPC platform
software for DFA method
Quantum dynamics of chain-like systems using tensor train formats
Generation of molecular formulas by high-resolution MS and MS/MS data
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra