Package: ad_sdl.wei
weiThe Workflow Execution Interface (WEI) for Autonomous Discovery/Self Driving Laboratories (AD/SDLs)For more details and specific examples of how to use wei, please see ourdocumentation.Table of ContentsweiTable of ContentsUsageInstallationDevelopmentContributingAcknowledgmentsLicenseUsageTo get started with WEI, we recommend:Using theWEI Template Workcellas a starting point to learn how to use WEI, and how to create your own Workcell.Consulting theDocumentationInstallationTo install thead_sdl.weipython package, you can runpip install ad_sdl.weiTo install from source, rungit clone https://github.com/ad-sdl/wei.git
cd wei
pip install -e .DevelopmentInstall Dockerfor your platform of choiceFor managing the Python Package,install PDMFor automatic development checks/linting/formatting,install pre-commitEnsure you haveGNU makeinstalled (on apt-based systems like Debian and Ubuntu,sudo apt install make)Clone the repository.Within the cloned repository, runmake buildto build the python package and docker image locally.For a complete list of make commands available, runmake help.Using PDMManaging DependenciesBuild and PublishRunning Using PDMUsing Pre-commitTo run pre-commit checks before committing, runpre-commit run --all-filesormake checksNONE OF THE FOLLOWING SHOULD BE DONE REGULARLY, AND ALL CHECKS SHOULD BE PASSING BEFORE BRANCHES ARE MERGEDTo skip linting during commits, useSKIP=ruff git commit ...To skip formatting during commits, useSKIP=ruff-format git commit ...To skip all pre-commit hooks, usegit commit --no-verify ...Seepre-commit documentationfor moreContributingPlease reportbugs,enhancement requests, orquestionsthrough theIssue Tracker.If you are looking to contribute, please seeCONTRIBUTING.md.Citing@Article{D3DD00142C,author="Vescovi, Rafael and Ginsburg, Tobias and Hippe, Kyle and Ozgulbas, Doga and Stone, Casey and Stroka, Abraham and Butler, Rory and Blaiszik, Ben and Brettin, Tom and Chard, Kyle and Hereld, Mark and Ramanathan, Arvind and Stevens, Rick and Vriza, Aikaterini and Xu, Jie and Zhang, Qingteng and Foster, Ian",title="Towards a modular architecture for science factories",journal="Digital Discovery",year="2023",pages="-",publisher="RSC",doi="10.1039/D3DD00142C",url="http://dx.doi.org/10.1039/D3DD00142C",abstract="Advances in robotic automation{,} high-performance computing (HPC){,} and artificial intelligence (AI) encourage us to conceive of science factories: large{,} general-purpose computation- and AI-enabled self-driving laboratories (SDLs) with the generality and scale needed both to tackle large discovery problems and to support thousands of scientists. Science factories require modular hardware and software that can be replicated for scale and (re)configured to support many applications. To this end{,} we propose a prototype modular science factory architecture in which reconfigurable modules encapsulating scientific instruments are linked with manipulators to form workcells{,} that can themselves be combined to form larger assemblages{,} and linked with distributed computing for simulation{,} AI model training and inference{,} and related tasks. Workflows that perform sets of actions on modules can be specified{,} and various applications{,} comprising workflows plus associated computational and data manipulation steps{,} can be run concurrently. We report on our experiences prototyping this architecture and applying it in experiments involving 15 different robotic apparatus{,} five applications (one in education{,} two in biology{,} two in materials){,} and a variety of workflows{,} across four laboratories. We describe the reuse of modules{,} workcells{,} and workflows in different applications{,} the migration of applications between workcells{,} and the use of digital twins{,} and suggest directions for future work aimed at yet more generality and scalability. Code and data are available at https://ad-sdl.github.io/wei2023 and in the ESI."}LicenseWEI is MIT licensed, as seen in theLICENSEfile.