Massively Parallel Quantum Chemistry program
Direct Simulation Monte Carlo (DSMC) Simulator
Chemical structures database & machine learning with web services API
Statistical thermodynamics package
Visualization of wavefunctions calculated by VASP (New release: v0.41)
Water & steam properties Java library
Theoretical Density, Orbital Relaxation and Exciton analysis
CueMol - Molecular Visualization Framework
NMR spin dynamics simulation
(Q)SAR Model Reporting Format Inventory
macOS version of the USGS geochemical modeling code PHREEQC
Dynamics of quantum systems, controlled by external fields
Cyclic Voltammetry Simulation Program for Research and Education