The implementation of Konnektor relies on Python packages like NetworkX, NumPy, scikit-learn and scikit-mol, and RDKit. The code correctness of the package is Figure : The thermodynamic cycle describes how to calculate a comparison of the binding affinities of two molecules ∆∆G BA bind (a). These comparisons can be used to build up a FE network of thermodynamic cycles or edges. The difficulty to calculate one FE calculation can be described as an edge weight prior to calculating the ∆∆G BA bind (b). The edge weights can be used to build up efficient connected networks to calculate a set of ∆∆G BA bind that can be translated into a ranking. The final ranking can be used to support drug discovery, in order to find the most promising candidates due to their binding affinity, helping to prioritize synthesis(c).