Backend Developer, OpenEye Scientific, Santa Fe, NM (24 February 2022)
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 can be found HERE.
Below is a summary of a few of the scientific problems being solved with Orion:
MOLECULAR DYNAMICS:
- Developed with Industry & Academic s/w, collaboration (OpenMM, Open Force Field)
- Uses a combination of CPUs, GPUs (several types)
- Relies on Elastic parallelism
CRYSTAL STRUCTURE PREDICTION:
- Leverages open source quantum mechanical code: Psi4
- Requires iterating on science & tech. problems
- Each iteration requires 10,000-100,000 CPU hours
- Multiple iterations per day
THE LARGEST MOLECULAR Docking CALCULATIONS EVER RUN
- https://docs.eyesopen.com/toolkits/python/dockingtk/docking.html
- 43B molecules (Enamine Real, Stereo Expanded)
- ~24 hours on 30,000 CPUs
- 41TB result
Large Scale Virtual Screening (FastROCS)
- Powered by OpenEye Toolkits: https://docs.eyesopen.com/toolkits/python/fastrocstk/introduction.html
- Searches 10^11 conformers
- Less than one-hour search, including setup and teardown of machines
- 43B molecules (Enamine Real) searched routinely in about 30 minutes
What you should have:
- B.S. in Computer Science or equivalent experience followed by
- 3+ years of experience in a senior developer or architect role
- Knowledge of algorithms used in Distributed Systems, and practical experience with them
- Python
- GoLang
- PostgreSQL
The following are a PLUS, but not required:
- Amazon Web Services (AWS)
- Containerization
- Django
- C++
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, fitness allowance, and much more.
Use THIS LINK to apply.
OpenEye Scientific Software is an Equal Opportunity Employer.