An interactive viewer for three-dimensional chemical structures.
Time-dependent simulation of open and closed quantum systems
A Raman spectra library with search and storage function.
Dynamics of quantum systems, controlled by external fields
Applications for data management
Print Steam Tables; Plot diagrams and cycles from equations of state
Chemical structures database & machine learning with web services API
Theoretical Density, Orbital Relaxation and Exciton analysis
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
Toxicity prediction for chemical compounds
General purpose de novo molecular design software
An Open Source "product catalogue" that is customizable and versatile.