Job Description

Over the last eight years, OpenEye Scientific has developed the field’s most advanced large-scale compute platform, Orion, built on Amazon Web Services. In this position, you will be working at the cutting edge of cloud computing, C++/Python development, and advanced MD simulation techniques. Your work will have the potential to make a major impact in drug discovery, and will be available to many pharmaceutical and biotech companies.

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.

We are looking for a Computational Chemist/Cheminformatician to join our team of experts in mathematics, computational modeling, and medicinal chemistry. This highly focused team will work together to drive forward technology which leverages OpenEye’s Orion platform to better enable scientists in the pharmaceutical industry working on projects from lead development to clinical candidate selection. This role will require interactions with customers and OpenEye’s scientific and technical teams.

What you’ll do:

• Extend OpenEye’s programming toolkits by developing and implementing new and useful scientific and technical features to aid customers in developing bespoke solutions.
• Explore methods for further enhancing OpenEye’s virtual screening platform (including OMEGA, ROCS, FastROCS, OEDocking).
• Apply chemistry/cheminformatics expertise with ML experts to build robust, scalable models to support data-driven decision making.
• Work on retrospective and prospective projects both internally and with collaborators to validate methodologies.
• Work with Orion project team to further optimize compound design workflows in Orion.
  

What you should have:

• PhD (or equivalent experience) in computational chemistry, chemistry, cheminformatics, or related field with 0 – 3 years relevant experience
• Knowledge of some traditional computational chemistry approaches such as docking, virtual screening, molecular modeling, etc.
• Programming expertise, ideally in c++ and/or python preferably with experience using AI coding agents
• Experience in or desire to learn about the pharmaceutical industry
• Strong desire to find practical solutions to challenging problems
• Demonstrated ability to work both as part of a team and independently

The following are a PLUS, but not required:

• Experience with OpenEye software/toolkits
• Expertise with diffusion models, transformers or 3D ML representations
• Experience with synthetically accessible, pharmaceutically relevant generative chemistry

Benefits:
We are passionate about the welfare of our employees and offer 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.

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