Systematic Evolution of Ligands by Exponential Enrichment (SELEX)is a powerful method for discovering novel ligands with high affinity andspecificity for target molecules. However, the experimental process is timeconsuming,resource-intensive, and involves numerous parameters that cansignificantly impact the outcome. This thesis aims to develop an in-silico SELEX simulator using diffusion models to streamline ligand discovery and optimizeexperimental conditions.