AlabOS: A Python-based Reconfigurable Workflow Management Framework for Autonomous Laboratories

• URL: http://arxiv.org/abs/2405.13930v2
• Date: Fri, 30 Aug 2024 22:19:05 GMT
• Title: AlabOS: A Python-based Reconfigurable Workflow Management Framework for Autonomous Laboratories
• Authors: Yuxing Fei, Bernardus Rendy, Rishi Kumar, Olympia Dartsi, Hrushikesh P. Sahasrabuddhe, Matthew J. McDermott, Zheren Wang, Nathan J. Szymanski, Lauren N. Walters, David Milsted, Yan Zeng, Anubhav Jain, Gerbrand Ceder,
• Abstract summary: We introduce AlabOS, a general-purpose software framework for orchestrating experiments and managing resources. AlabOS features a reconfigurable experiment workflow model and a resource reservation mechanism, enabling the simultaneous execution of varied tasks. We demonstrate the implementation of AlabOS in a prototype autonomous materials laboratory, A-Lab, with around 3,500 samples synthesized over 1.5 years.
• Score: 3.8330070166920556
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation. As these autonomous systems grow in complexity, the demand for robust and efficient workflow management software becomes increasingly critical. In this paper, we introduce AlabOS, a general-purpose software framework for orchestrating experiments and managing resources, with an emphasis on automated laboratories for materials synthesis and characterization. AlabOS features a reconfigurable experiment workflow model and a resource reservation mechanism, enabling the simultaneous execution of varied workflows composed of modular tasks while eliminating conflicts between tasks. To showcase its capability, we demonstrate the implementation of AlabOS in a prototype autonomous materials laboratory, A-Lab, with around 3,500 samples synthesized over 1.5 years.

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