The datasets in the compressed file were used in the case study of the article entitled Automated Machine Learning Pipeline for Geochemical Analysis by Germán H. Alférez, et al. Our approach was evaluated with a compositional dataset from 6 fault-separated blocks in the Peninsular Ranges Province and Transverse Ranges Province. The Peninsular Ranges are a group of mountain ranges, stretching from Southern California to Southern Baja California, Mexico. North of the Peninsular Ranges Province is the east-west Transverse Ranges Province.