pyrolite: Python for geochemistry

Abstract

pyrolite is a Python package for working with multivariate geochemical data, with a particular focus on rock and mineral chemistry. The project aims to contribute to more robust, efficient and reproducible data-driven geochemical research. pyrolite provides tools for processing, transforming and visualising geochemical data from common tabular formats. The package includes methods to recalculate and rescale whole-rock and mineral compositions, perform compositional statistics and create appropriate visualisations and also includes numerous auxiliary utilities (e.g. a geological timescale). In addition, these tools provide a foundation for preparing data for subsequent machine learning applications using scikit-learn (Pedregosa et al., 2011).