LeDock is a molecular docking software designed for protein-ligand interactions, compatible with Linux, macOS, and Windows. It supports the [http://www.csb.yale.edu/userguides/datamanip/dock/DOCK_4.0.1/html/Manual.41.html Tripos Mol2] file format and employs a simulated annealing and genetic algorithm approach for docking. Utilizing a knowledge-based scoring scheme, it is categorized as a flexible docking method.