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workflow manager

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2 results in Keywords: workflow manager

Theoretical and Computational Chemistry

ChemOS: An Orchestration Software to Democratize Autonomous Discovery

Loı̈c M. Roch, Florian Häse, Christoph Kreisbeck, Teresa Tamayo-Mendoza, Lars P. E. Yunker, Jason E. Hein, Alan Aspuru-Guzik

Version 1 posted 07 March 2018

5,016

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Theoretical and Computational Chemistry

Icolos: A workflow manager for structure based post-processing of de novo generated small molecules

J. Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter

Version 1 posted 01 February 2022

725

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