Software Developer Engineer Ii

Please submit your cover letter and resume as one document.

OpenEye, Cadence Molecular Sciences – a division of Cadence Design Systems – is an industry

leader in computational molecular design through rapid, robust, and scalable

software, consulting services, and Orion®, the only cloud-native fully

integrated software-as-a-service molecular modeling platform. Combining

unlimited computation and storage with powerful tools for data sharing,

visualization and analysis in a customizable development platform, Orion offers

unprecedented capabilities for the advancement of pharmaceuticals, biologics,

agrochemicals, and flavors and fragrances. OpenEye, Cadence Molecular Sciences

is headquartered in Santa Fe, N.M., with offices in Boston, Mass.; Cologne,

Germany; and Tokyo, Japan.

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=gjKNHK4jWMQ

Below is a summary of a few of the scientific problems being solved with Orion:

Molecular Dynamics

• Relies on Elastic parallelism
• Developed with Industry & Academic s/w, collaboration (OpenMM, Open Force Field)
• Uses a combination of CPUs, GPUs (several types)

Crystal Structure Prediction

• Requires iterating on science & tech. problems
• Multiple iterations per day
• Leverages open source quantum mechanical code: Psi4
• Each iteration requires 10,000-100,000 CPU hours

The largest molecular Docking calculations ever run

• 41TB result
• ~24 hours on 30,000 CPUs
• 43B molecules (Enamine Real, Stereo Expanded)
• Https://docs.eyesopen.com/toolkits/python/dockingtk/docking.html

Large Scale Virtual Screening (FastROCS)

• 43B molecules (Enamine Real) searched routinely in about 30 minutes
• Less than one-hour search, including setup and teardown of machines
• Searches 10^11 conformers
• Powered by OpenEye Toolkits: https://docs.eyesopen.com/toolkits/python/fastrocstk/introduction.html

What you should have:

• 3+ years of experience in a senior developer or architect role
• B.S. in Computer Science or equivalent experience followed by
• GoLang
• Knowledge of algorithms used in Distributed Systems, and practical experience with them
• Python
• PostgreSQL

The following are a PLUS, but not required:

• C++
• Django
• Amazon Web Services (AWS)
• Containerization

Please submit your cover letter and resume as one document.

Benefits:

OpenEye is passionate about the welfare of its employees and offers competitive benefits that include medical, dental, vision, flexible working schedule, 401k retirement plans, paid vacation, paid sick leave, home internet costs, public transportation reimbursement, and much more.

Please submit your cover letter and resume as one document.

OpenEye Scientific Software is an Equal Opportunity Employer.