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