CITATION.cff

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Ries"
  given-names: "Benjamin"
  orcid: "https://orcid.org/0000-0002-0945-8304"
- family-names: "Alibay"
  given-names: "Irfan"
  orcid: "https://orcid.org/0000-0001-5787-9130"
- family-names: "Swenson"
  given-names: "David W.H."
  orcid: "https://orcid.org/0000-0001-9922-7923"
- family-names: "Baumann"
  given-names: "Hannah M."
  orcid: "https://orcid.org/0000-0002-1736-7744"
- family-names: "Henry"
  given-names: "Michael M."
  orcid: "https://orcid.org/0000-0002-3870-9993"
- family-names: "Eastwood"
  given-names: "James R. B."
  orcid: "https://orcid.org/0000-0003-3895-5227"
- family-names: "Gowers"
  given-names: "Richard J."
  orcid: "https://orcid.org/0000-0002-3241-1846"
title: "Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations"
version: 1.0
date-released: 2024-02-08
url: "https://openfree.energy/"
repository-code: "https://github.com/OpenFreeEnergy/kartograf"
doi: 10.1021/acs.jctc.3c01206