# cff-version: 1.2.0
message: If you use this software, please cite it as below.
title: Matbench Discovery
subtitle: An evaluation framework for machine learning crystal stability prediction
authors:
  - given-names: Janosh
    family-names: Riebesell
    affiliation: University of Cambridge, LBNL
    email: janosh.riebesell@gmail.com
    orcid: https://orcid.org/0000-0001-5233-3462
    corresponding: true
    affil_key: 1, 2
    github: https://github.com/janosh
  - given-names: Rhys
    family-names: Goodall
    affiliation: University of Cambridge
    orcid: https://orcid.org/0000-0002-6589-1700
    affil_key: 1
    github: https://github.com/comprhys
  - given-names: Philipp
    family-names: Benner
    affiliation: German Federal Institute of Materials Research and Testing
    orcid: 0000-0002-0912-8137
    affil_key: 3
    github: https://github.com/pbenner
  - given-names: Yuan
    family-names: Chiang
    affiliation: Lawrence Berkeley National Lab, UC Berkeley
    orcid: 0000-0002-4017-7084
    affil_key: 2, 5
    github: https://github.com/chiang-yuan
  - given-names: Bowen
    family-names: Deng
    affiliation: Lawrence Berkeley National Lab, UC Berkeley
    orcid: 0000-0002-5720-5299
    affil_key: 2, 5
    github: https://github.com/bowen-deng
  - given-names: Alpha
    family-names: Lee
    orcid: 0000-0002-9616-3108
    affiliation: University of Cambridge
    affil_key: 1
    github: https://github.com/alphaleegroup
  - given-names: Gerbrand
    family-names: Ceder
    affiliation: Lawrence Berkeley National Lab
    orcid: 0000-0001-9275-3605
    affil_key: 2
  - given-names: Mark
    family-names: Asta
    affiliation: Lawrence Berkeley National Lab
    orcid: 0000-0002-8968-321X
    affil_key: 2
  - given-names: Anubhav
    family-names: Jain
    orcid: 0000-0001-5893-9967
    affiliation: Lawrence Berkeley National Lab
    affil_key: 2
    github: https://github.com/computron
  - given-names: Kristin
    family-names: Persson
    orcid: 0000-0003-2495-5509
    affiliation: Lawrence Berkeley National Lab
    affil_key: 2, 4, 5
affiliations:
  - Cavendish Laboratory, University of Cambridge, UK
  - Lawrence Berkeley National Lab, Berkeley, USA
  - Federal Institute of Materials Research and Testing (BAM), Germany
  - Molecular Foundry, Lawrence Berkeley National Lab, USA
  - Department of Materials Science and Engineering, University of California - Berkeley, USA
license: MIT
license-url: https://github.com/janosh/matbench-discovery/blob/-/license"
repository-code: https://github.com/janosh/matbench-discovery
type: software
url: https://github.com/janosh/matbench-discovery
doi: https://doi.org/10.1038/s42256-025-01055-1
version: 1.3.1 # replace with whatever Matbench Discovery version you use
date-released: "2023-08-28" # date of arXiv submission
