Scientific Software Developer - MD Specialist

Santa Fe, NM, United States
Jul 28, 2021
Required Education
Position Type
Full time

OpenEye Scientific, an industry leader in computational molecular design, uses a scientific approach to deliver rapid, robust, and scalable software, toolkits, and technology & design services for the advancement of pharmaceuticals, biologics, agrochemicals, and flavors and fragrances. We are passionate about science and about taking care of our team members, with leaders supporting your development and recognizing your contributions by providing an unmatched total compensation package in a collaborative, caring, energetic and fun work environment.

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.

You will join a group of mostly PhD-level scientists and developers who are driven to build the next generation of biomolecular simulation software, a group that excels in code optimization, molecular theory and the scientific process. We are also skilled C++ and Python developers who enjoy discussing our science and the state and direction of the field.

OpenEye Scientific has been a leader in the computational chemistry industry for over twenty years, and provides a wide range of products for designing new and better medicines. We are widely recognized for the care we take with our science, our software and the people who work for us.

What you should have:

  • Master's or PhD in Physics, Chemistry, Computational Biology or related field
  • 3-5+ years experience developing in modern scientific languages (Python/C++/etc.)
  • Strong background in the theory of molecular dynamics simulation
  • Good people/communication skills and ability to work as a part of a team
  • Ability to work under a development schedule, balancing features with delivery


The following are a PLUS, but not required:



  • 5-8+ years experience developing in modern scientific languages (Python, C++, etc.)
  • Contributor to major scientific code base related to MD simulations
  • 1-2+ years experience with enhanced sampling MD simulations


This position is available at our headquarters in Santa Fe, NM. Relocation cost assistance is provided. This is not a remote-work position.

Please submit your cover letter and resume together, as one document.


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