OpenEye Scientific Software, Inc.
Location:Santa Fe, New Mexico
Education: B.S. in Computer Science or equivalent experience
Experience: 3+ years of experience in a senior developer or architect role
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:
Below is a summary of a few of the scientific problems being solved with Orion:
- 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
- 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
OpenEye 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.
- 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
The following are a PLUS, but not required:
- Amazon Web Services (AWS)
Application Contact Information:
To apply please Email cover letter and resume to: