Chemiscope: interactive structure/property explorer for materials and molecules
Chemiscope is a tool for interactive exploration of
databases of materials and molecular, correlating local and
global structure descriptors with the properties of the
systems. Structural properties are represented by a
descriptor mapped onto a smaller space using a
dimensionality reduction algorithm.
Chemiscope is free and open source, distributed under the
BSD license itself, and the GPL license for the Jmol
dependency. It is developed by Guillaume Fraux in the
COSMO lab at EPFL, with
support from the NCCR
MARVEL and MAX
european center of excellence.