pyMolDyn release 0.5.3

pyMolDyn v0.5.3 is now released. Compared to our initial version 0.1.0 it contains many improvements of the graphical user interface and some new features like cavity filtering. Furthermore, we now offer binary packages for linux via a self-hosted rpm and deb repository, as well as a …

pyMolDyn release 0.1.0

Today the first release of the new pyMolDyn version was published. This application can calculate and visualize molecular cavities in all 14 Bravais lattice cells.

High resolution screenshot of cavities in a GeTe structure

Outstanding Results

Two newly-qualified mathematical-technical software developers from PGI/JCNS-TA both share the title of "best student in their field in Germany" ...