Journal
Zenodo (CERN European Organization for Nuclear Research)
Publisher
European Organization for Nuclear Research
Record source
OpenAlex Research Library
Abstract / Description
This repository contains a complete and reproducible data science workflow for the study, "Predicting global statistical Raman spectral features of minerals from structural and composition-derived descriptors," which has been submitted to Physical Chemistry Chemical Physics (PCCP). We provide code for structural descriptor engineering and rigorous machine learning validation.