StereoMolGraph/CITATION.cff at dev · maxim-papusha/StereoMolGraph · GitHub

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cff-version: 1.2.0
type: software
title: StereoMolGraph
abstract: Graph Library for Molecules and Transition States with Stereochemistry.
authors:
  - given-names: Maxim
    family-names: Papusha
    orcid: https://orcid.org/0009-0000-8580-4777
  - given-names: Florian
    family-names: Solbach
    orcid: https://orcid.org/0000-0003-1923-3747
  - given-names: Andreas V.
    family-names: Copan
    orcid: https://orcid.org/0000-0002-8682-0813
contact:
  - name: Maxim Papusha
    email: maxim.papusha@ltt.rwth-aachen.de
repository-code: >-
  https://github.com/maxim-papusha/StereoMolGraph
doi: 10.5281/zenodo.16360310
license: MIT

preferred-citation:
  type: article
  title: "StereoMolGraph: Stereochemistry-Aware Molecular and Reaction Graphs"
  authors:
    - given-names: Maxim
      family-names: Papusha
      orcid: 'https://orcid.org/0009-0000-8580-4777'
    - given-names: Kai
      family-names: Leonhard
      orcid: 'https://orcid.org/0000-0001-6231-6957'
  journal: "Journal of Chemical Information and Modeling"
  volume: "66"
  issue: "7"
  start: "3830"
  end: "3839"
  year: "2026"
  doi: 10.1021/acs.jcim.5c02523