Configurational space exploration is generally performed at a low level of theory, i.e., molecular mechanics or semi-empirical methods (e.g., GFN-xTB) ). JKCS (JKCS2 explore) currently communicates with two commonly used configuration space exploration programs: ABCluster and CREST. ABCluster employs the genetic artificial bee colony algorithm and can be used with either rigid or flexible monomers. Rigid monomer exploration, often done at a molecular mechanics level, allows for inexpensive and fast exploration of large configurational spaces. The monomer rigidity guarantees that unwanted reactions do not take place (at least at the exploration stage) but also prevents proton transfers or conformational changes essential for cluster stability. Hence, introducing a combination of various building blocks in the system setup allows for a more thorough exploration. Starting from flexible monomers, ABCluster offers a slower exploration combining both clusterconfiguration and monomer-conformation, and this search is typically performed using the GFN-xTB method. In CREST, the configurational space is explored through metadynamics simulations, again often using the GFN-xTB method. The choice of method is highly dependent on the studied cluster. At the end of the exploration, the energetically lowest-lying minimum structures are saved for further refinement.