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Scientific Software Developer II - Modeler

OpenEye Scientific
South Boston, MA
Closing date
Sep 20, 2023

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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 an expert in Computational Chemistry Modeling/Cheminformatics to join our team of experts in mathematics, computational modeling, molecular dynamics, 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 extensive interactions with customers and OpenEye's scientific and technical teams.

What you'll do:

  • Explore methods for further enhancing OpenEye's ROCS and FastROCS tools by optimizing overlay and scoring steps using known data for a target.
  • Extend OpenEye's docking technology to enabled customized pose generation and scoring leveraging known crystal structures, SAR information, etc.
  • Apply chemistry/cheminformatics expertise with ML experts to build robust, scalable models to support dsata-driven decision making.
  • Develop cheminformatics workflows to assist with management/refresh of project data in an automated way.
  • Work on retrospective and prospective projects both internally and with collaborators to validate methodologies.
  • Work with Orion product 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
  • Knowledge of traditional computational chemistry approaches including docking, virtual screening, molecular modeling, etc.
  • Programming expertise, ideally in C++ or python
  • 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

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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