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CITATION.cff
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CITATION.cff
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cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Bonati"
given-names: "Luigi"
orcid: "https://orcid.org/0000-0002-9118-6239"
- family-names: "Trizio"
given-names: "Enrico"
orcid: "https://orcid.org/0000-0003-2042-0232"
- family-names: "Rizzi"
given-names: "Andrea"
orcid: "https://orcid.org/0000-0001-7693-2013"
- family-names: "Parrinello"
given-names: "Michele"
orcid: "https://orcid.org/0000-0001-6550-3272"
title: "mlcolvar"
url: "https://github.com/luigibonati/mlcolvar"
preferred-citation:
type: article
authors:
- family-names: "Bonati"
given-names: "Luigi"
orcid: "https://orcid.org/0000-0002-9118-6239"
- family-names: "Trizio"
given-names: "Enrico"
orcid: "https://orcid.org/0000-0003-2042-0232"
- family-names: "Rizzi"
given-names: "Andrea"
orcid: "https://orcid.org/0000-0001-7693-2013"
- family-names: "Parrinello"
given-names: "Michele"
orcid: "https://orcid.org/0000-0001-6550-3272"
doi: "10.1063/5.0156343"
journal: "Journal of Chemical Physics"
start: 014801
title: "A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar"
volume: 159
year: 2023