OpenEye Scientific Software, Inc.
Santa Fe, TXLocation:Santa Fe, New MexicoEducation: B.S.
in Computer Science or equivalent experienceExperience: 3+ years of experience in a senior developer or architect roleTravel: MinimalJob Description:You would be working as a member of the backend team, responsible for developing OpenEye’s cloud platform, Orion.
This platform is a state of the art elastic workflow scheduler and orchestration system, designing database models, and creating APIs to allow scientists to leverage the cloud without needing to be experts in distributed systems.Orion is a container-based scientific workflow system written in Go and Python.
While there are some interesting workflow and container orchestration systems out there, none deliver the flexibility in using legacy applications and toolkits, ease of use, scalability, and reliability that we are targeting.
Our system is made up of Floe, a Python workflow framework, and a cloud-based workflow runtime and user interface leveraging many technologies, including Django, Docker, and AWS.More about Orion and the science being done on it:https://www.youtube.com/watch?v=gjKNHK4jWMQBelow is a summary of a few of the scientific problems being solved with Orion:Molecular DynamicsDeveloped with Industry & Academic s/w, collaboration (OpenMM, Open Force Field)Uses a combination of CPUs, GPUs (several types)Relies on Elastic parallelismCrystal Structure PredictionLeverages open source quantum mechanical code: Psi4Requires iterating on science & tech.
problemsEach iteration requires 10,000-100,000 CPU hoursMultiple iterations per dayThe largest molecular Docking calculations ever runhttps://docs.eyesopen.com/toolkits/python/dockingtk/docking.html43B molecules (Enamine Real, Stereo Expanded)~24 hours on 30,000 CPUs41TB resultLarge Scale Virtual Screening (FastROCS)Powered by OpenEye Toolkits: https://docs.eyesopen.com/toolkits/python/fastrocstk/introduction.htmlSearches 10^11 conformersLess than one-hour search, including setup and teardown of machines43B molecules (Enamine Real) searched routinely in about 30 minutesOpenEye will not be providing work visa sponsorship for this position. Please only apply if eligible to work in the U.S.
and will not require work visa sponsorship.Requirements:B.S.
in Computer Science or equivalent experience followed by 3+ years of experience in a senior developer or architect roleKnowledge of algorithms used in Distributed Systems, and practical experience with themPythonGoLangPostgreSQLThe following are a PLUS, but not required:Amazon Web Services (AWS)ContainerizationDjangoC++Application Contact Information:To apply please Email cover letter and resume to: hr@eyesopen.com
How to Apply
Follow the application procedure at stackoverflow.com for more info.
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