An interactive viewer for three-dimensional chemical structures.
A Raman spectra library with search and storage function.
Chemical structures database & machine learning with web services API
Print Steam Tables; Plot diagrams and cycles from equations of state
Time-dependent simulation of open and closed quantum systems
Dynamics of quantum systems, controlled by external fields
Applications for data management
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.