Filename Description -------------------------- --------------------------------------------------- This work is a collaborative effort between California Institute of Technology, Toyota Research Institute, and Modelyst LLC. Authors: Dan Guevarra, Michael J. Statt, Brian A. Rohr, John M. Gregoire, and Santosh K. Suram File Descriptions: conda_env.yml - conda environment yaml for running query_and_modeling.ipynb eche_foms_query.sql - retrieves sample info and eche analysis foms eche_pets_query.sql - retrieves eche & pets sample-processes myquaternaryutility.py - utility functions for quaternary comp space plots myternaryutility.py - utility functions for ternary comp space plots quaternary_faces_shells.py - ternary shells plot class (Fig 5b,c,d) query_and_modeling.ipynb - query execution, modeling, and plotting notebook Tested on conda 23.3.1 https://repo.anaconda.com/miniconda/Miniconda3-py310_23.3.1-0-Linux-x86_64.sh Environment setup and notebook usage ------------------------------------- > conda env create -f conda_env.yml > conda activate esamp > jupyter lab