HITS (Heidelberg Institute for Theoretical Studies) is a private, non-profit research institute. As a research institute of the Klaus Tschira Foundation, HITS conducts basic research from astrophysics to molecular and cellular biology, with a focus on processing and structuring large volumes of data. Two groups are contributing to K4DD: The "Molecular and Cellular Modeling" group led by Rebecca Wade has expertise in computational structural biology and molecular modelling and simulation. The "Scientific Databases and Visualization" group led by Wolfgang Müller has expertise in databases and data-sharing tools.

For HITS, K4DD provides the opportunity to develop computational methods and data analysis and handling tools within an international network of excellent academic and industrial partners. Interactions with, and feedback from, partners will facilitate the development of high quality methods and software of practical relevance.