Unfortunately, QC calculations are computationally expensive and the cost steeply grows with cluster size. Configurational sampling, the process of searching for the most relevant cluster configurations, is another bottleneck in molecular cluster studies, as the configurational space quickly grows in complexity with the size of the cluster and the flexibility of its monomers. Several programs exist to explore the vast configurational space of clusters (e.g., ABCluster, OGOLEM, and CREST ). Additionally, many programs for performing different types of QC calculations are available (e.g., Gaussian, ORCA, XTB, and Turbomole ). Configurations can be manually passed from one program to another, but this is cumbersome and error-prone. Therefore, we present the Jammy Key for Configurational Sampling (JKCS) script that interfaces with the most commonly used 3 rd party programs in the molecular cluster community, manages job submissions to computer clusters via the SLURM job scheduler, and handles the manipulation of the large number of files produced during the process. It further offers tools for data storage and analysis such as filtering, extraction of cluster properties from the output of the QC programs, and QC post-corrections calculations.