Launching DENOPTIM – the only general-purpose de novo design software for molecules

Pursuing a research vision for close-to a decade, Vidar Jensen and co-authors Marco Foscato and Vishwesh Venkatraman were happy to release the DENOPTIM software into the Open Source realm for everybody to use and to extend.

DENOPTIM is the only available general-purpose de novo design software for molecules. It may be used to design all kinds of functional molecules, ranging from pharmaceuticals to organometallic catalysts. It may thus be used, and make an impact, across chemistry. The usage of DENOPTIM is also likely to be promoted by the fact that it is freely available as Open Source from the GitHub project. The authors have documented some of the key methods implemented in DENOPTIM in the scientific literature already. (1, 2, 3).

photo: Egil

In addition to providing the world with a useful tool, the launch is also about positioning the research group on the international arena. From this perspective, a fitting and catching logo is of considerable value, and Inger Johanne pitched in with creative twists! All involved parties are congratulated!