Molecular design suite with advanced pharmacophore modeling and virtual screening.
LigandScout

Molecular modeling and simulation software suite used in research in structural biology and computational chemistry
YASARA

A software framework for Molecular Dynamics-based discovery
ACEMD Platform

One-click molecular discovery
PlayMolecule

Next generation tool for the calculation of a wide range of molecular descriptors and a number of molecular fingerprints
alvaDesc

A software tool for de novo molecular design
alvaBuilder