FAIRmaterials

Authors:
    Jonathan E. Gordon\(^{1}\), Alexander Harding Bradley\(^{1}\), Priyan Rajamohan\(^{1}\), Nathaniel Hahn\(^{1}\), Kiefer Lin\(^{1}\),
    Arafath Nihar\(^{1}\), Hayden Cadwell\(^{1}\), Jiana Kambo\(^{1}\), Jayvic Jimenez\(^{1}\), Kristen J. Hernandez\(^{1}\), Hein Htet Aung\(^{1}\),
    Brian Giera\(^{2}\), Weiqi Yu\(^{1}\), Mohommad Redad Mehdi\(^{1}\), Finley Holt\(^{1}\), Quynh Tran\(^{1}\), Gabriel Ponon\(^{1}\),
    Dan Savage\(^{3}\), Don Brown\(^{3}\), Jarod Kaltenbaugh\(^{4}\), Kush Havinal\(^{4}\), Nicholas Gray\(^{4}\), Max Ligget\(^{1}\),
    Benjamin G. Pierce\(^{1}\), Raymond Wieser\(^{1}\), Yangxin Fan\(^{1}\), Tommy Ciardi\(^{1}\), Olatunde J. Akanbi\(^{1}\), Hadiza Iawal\(^{1}\),
    Will Oltjen\(^{1}\), Maliesha Kalutotage\(^{1}\), Antony Lino\(^{1}\), Van Tran\(^{1}\), Mingjian Lu\(^{1}\), Xuanji Yu\(^{1}\),
    Abhishek Daundkar\(^{1}\), Hope Omodolor\(^{1}\), Mirra Rasmussen\(^{1}\), Sameera Nalin-Venkat\(^{1}\), Tian Wang\(^{1}\),
    Rounak Chawla\(^{1}\), Liangyi Huang\(^{1}\), Zelin Li\(^{1}\), Leean Jo\(^{1}\), Jeffrey M. Yarus\(^{1}\), Mengjie Li\(^{4}\),
    Kristopher O. Davis\(^{4}\), Yinghui Wu\(^{1}\), Pawan K. Tripathi\(^{1}\), Laura S. Bruckman\(^{1}\), Erika I. Barcelos\(^{1}\),
    Roger H. French\(^{1}\)

\(^{1}\) Materials Data Science for Stockpile Stewardship Center of Excellence, Cleveland, OH 44106, USA
\(^{2}\) Lawrence Livermore National Laboratory, Livermore, CA 94551, USA
\(^{3}\) Los Alamos National Laboratory, Los Alamos, NM 87545, USA
\(^{4}\) University of Central Florida, Materials Science & Engineering, Orlando, FL 32816, USA


What is FAIRmaterials and what does it do?

‘FAIRmaterials’ is a bilingual package in R and Python that translates several CSV files from the template (described below) with ontological terms and corresponding data into RDF triples. These RDF triples are then stored in OWL and JSON-LD files, facilitating data accessibility, interoperability, and knowledge unification. The triples are also visualized in a graph saved as an SVG or as a PNG with the Python package. The Python package has a fourth output too. It generates documentation for the output ontology as an HTML.

Put the sheets, created from the template (described below), for one or more ontologies in a folder and the ‘FAIRmaterials’ ‘process_ontology_files’ or ‘FAIRSheetParser’ function will output a JSON-LD, turtle/OWL, SVG/PNG visualization, and HTML documentation into the input folder for all the input ontologies merged. Note that a folder containing only files for one ontology will give results for just that ontology and specifying a base uri is required for merging ontologies. The package can handle subdirectories by producing separate unmerged outputs for each subdirectory and a merged output from all files in the input path. This tool, developed for use by the SDLE Research Center at Case Western Reserve University, facilitates the creation and visualization of material science ontologies.




How to use FAIR CSV template:

To Prepare your CSV files, ensure your CSV files contains the appropriate ontological terms and corresponding data using this template: FAIR CSV Template

The XLSX versions of the templates can be found in the package using this code:

# Load the necessary library
library(utils)

# Specifying the path to the Zip file
zip_file <- system.file("extdata", "FAIRSheetTemplatesZIP.zip", package = "FAIRmaterials")

# Extract files from the Zip
unzip(zip_file, exdir = "path/to/destination/for/templates")

Example of XRay ontology FAIR CSV sheet

Example Name Space Sheet:

Example Ontology Information Sheet:

Example Variable Definitions Sheet:

Example Relationship Definitions Sheet: