An interactive viewer for three-dimensional chemical structures.
2D molecule editor
X-Ray and Neutron Reflectivity Modeling
vmdStore provides a user-friendly interface to free install VMD plugin
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
Water & steam properties Java library
Chemical structures database & machine learning with web services API
Program for molecular graphics
Applications for data management
Quantum dynamics of chain-like systems using tensor train formats
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
Toxicity prediction for chemical compounds