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ChemOS_main.pdf (11.93 MB)

ChemOS: An Orchestration Software to Democratize Autonomous Discovery

preprint
submitted on 06.03.2018 and posted on 07.03.2018 by Loı̈c M. Roch, Florian Häse, Christoph Kreisbeck, Teresa Tamayo-Mendoza, Lars P. E. Yunker, Jason E. Hein, Alan Aspuru-Guzik
Autonomous or “self-driving” laboratories combine robotic platforms with artificial intelligence to increase the rate of scientific discovery. They have the potential to transform our traditional approaches to experimentation. Although autonomous laboratories recently gained increased attention, the requirements imposed by engineering the software packages often prevent their development. Indeed, autonomous laboratories require considerable effort in designing and writing advanced and robust software packages to control, orchestrate and synchronize automated instrumentations, cope with databases, and interact with various artificial intelligence algorithms. To overcome this limitation, we introduce ChemOS, a portable, modular and versatile software package, which supplies the structured layers indispensable for operating autonomous laboratories. Additionally, it enables remote control of laboratories, provides access to distributed computing resources, and comprises state-of-the-art machine learning methods. We believe that ChemOS will reduce the time-to-deployment from automated to autonomous discovery, and will provide the scientific community with an easy-to-use package to facilitate novel discovery, at a faster pace.

History

Email Address of Submitting Author

loic.m.roch@gmail.com

Email Address(es) for Other Author(s)

fhase@g.harvard.edu christophkreisbeck@gmail.com ttamayomendoza@g.harvard.edu larsy@chem.ubc.ca jhein@chem.ubc.ca aspuru@chemistry.harvard.edu

Institution

Harvard University, University of British Columbia, Canadian Institute for Advanced Research

Country

United States of America, Canada

ORCID For Submitting Author

0000-0003-1771-2023

Declaration of Conflict of Interest

There are no conflicts to declare.

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