ChemOS: An orchestration software to democratize autonomous discovery

• Loïc M. Roch ,

  Contributed equally to this work with: Loïc M. Roch, Florian Häse

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: loic.m.roch@gmail.com

  Affiliation Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts, United States of America

  http://orcid.org/0000-0003-1771-2023

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• Florian Häse ,

  Contributed equally to this work with: Loïc M. Roch, Florian Häse

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts, United States of America

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• Christoph Kreisbeck,

  Roles Conceptualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts, United States of America

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• Teresa Tamayo-Mendoza,

  Roles Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts, United States of America

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• Lars P. E. Yunker,

  Roles Data curation, Methodology, Software, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, University of British Columbia, Vancouver, British Columbia, Canada

  http://orcid.org/0000-0002-8899-2926

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• Jason E. Hein,

  Roles Funding acquisition, Supervision, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, University of British Columbia, Vancouver, British Columbia, Canada

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• Alán Aspuru-Guzik

  Roles Conceptualization, Funding acquisition, Investigation, Project administration, Supervision, Writing – original draft, Writing – review & editing

  Affiliations Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts, United States of America, Department of Chemistry and Computer Science, University of Toronto, Toronto, Ontario, Canada, Vector Institute for Artificial Intelligence, Toronto, Ontario, Canada, Canadian Institute of Advanced Research, Toronto, Ontario, Canada

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