Scientific Software Developer - Molecular Modeling

Santa Fe, NM, United States
Jul 28, 2021
Required Education
Bachelors Degree
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.

The successful candidate will have shared responsibility for delivering established products, building new technologies into customer solutions, and establishing new algorithms for molecular modeling and machine learning in drug discovery. You will be able to deploy your solutions on Orion, the most exciting cloud platform available today for drug discovery.

The team you will join includes several PhD level scientific developers with expertise in computational chemistry, statistical thermodynamics, and molecular modeling. We are also skilled C++ and Python developers, and experts in code optimization, large-scale software infrastructure development and deployment. You will fit in if you enjoy writing high quality scientific code and contributing to scientific computations on a large-scale.

What you'll do:


  • Write state-of-the-art scientific software tools for drug discovery
  • 3D molecular modeling including ligand-based and structure-based design
  • Bio-active conformer generation
  • 3D modeling of molecular properties and interactions
  • Optimize in-situ molecular structures, and calculate free energies
  • Help customers solve their drug discovery problems


What we use:




  • Python, C++, Java, C#
  • Cmake, swig, git, Jupyter, conda, pip, Atlassian tools: JIRA, bitbucket, Fisheye
  • Multi-platform development environment
  • Orion: A cloud-platform for high-performance scientific computing


What you should have:




  • Master or PhD in Physics, Chemistry, Computational Biology or related field
  • Desire to learn new ideas and technologies
  • 3-5+ years of experience using Python and/or C++ for scientific development
  • Knowledge of molecular modeling and drug discovery literature
  • Thorough understanding of professional software development practices & tools


The following are a PLUS, but not required:




  • Teamwork
  • Attention to detail
  • Excellent communication skills
  • Scientific and technical innovation
  • Curiosity and creativity
  • Experience working on large scale software projects
  • The ability to write new code when necessary, use available code when appropriate
  • Ability to work under a development schedule, balancing features and delivery deadlines


This position is available at our headquarters in Santa Fe, NM. Relocation assistance will be provided.

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.