Data Scientist - Computational Chemistry

Full time

Employment Information

The position you were interested in has been filled or expired, but we invite you to explore other exciting job openings on our platform to find your next career opportunity.

How might you defy imagination?

You’ve worked hard to become the professional you are today and are now ready to take the next step in your career. How will you put your skills, experience and passion to work toward your goals? At Amgen, our shared mission—to serve patients—drives all that we do. It is key to our becoming one of the world’s leading biotechnology companies, reaching over 10 million patients worldwide. Come do your best work alongside other innovative, driven professionals in this meaningful role.

What you will do

Let’s do this. Let’s change the world. We are actively seeking a highly qualified and motivated Data Scientist with a strong background in cheminformatics and AI/ML. The scientist will join the computational chemistry team within Amgen’s Center for Research Acceleration and Digital Innovation (CRADI). CRADI functions within our drug discovery engine to accelerate our pipeline from target inception through drug development. The computational chemistry team develops and applies tools to generate novel molecules and predict chemical properties to guide the discovery of small molecule therapeutics. In this vital role, you will collaborate with a multi-disciplinary team of scientists to train, deploy, and maintain ML models for small molecule data. Furthermore, you will play an active role in developing software packages used by both computational and medicinal chemists for drug discovery projects. An ability to communicate clearly and collaborate effectively with colleagues from different fields will be essential.


  • Participate on multiple interdisciplinary discovery project teams and play a key role in data collection, model training and deployment for chemical property prediction
  • Apply structure-based, ligand-based and machine learning/generative design to guide experimental efforts
  • Collaborate with engineers and data scientists to develop innovative cheminformatics tools that facilitate data access, model utilization, and output interpretation
  • Clearly document methods and analyses to allow reproducible research
  • Monitor, review, and critically interpret published computational research spanning small molecule computer-aided drug design
  • Proactively scope and deploy novel ML/AI methods for chemical property prediction and molecule generation
  • Contribute to guide infrastructure improvements, software portfolio recommendations and prospecting of relevant cutting-edge computational technologies/companies
  • The preferred location for this position is at our Thousand Oaks (CA) site; but consideration will be given to remote candidates as well

What we expect of you

We are all different, yet we all use our unique contributions to serve patients. The dynamic professional we seek is a strong communicator with these qualifications.

Basic Qualifications:

  • Doctorate degree OR
  • Master’s degree and 3 years of Cheminformatics and ML experience Or
  • Bachelor’s degree and 5 years of Cheminformatics and ML experience Or
  • Associate’s degree and 10 years of Cheminformatics and ML experience Or
  • High school diploma / GED and 12 years of 4 years of experience Cheminformatics and ML experience

Preferred Qualifications:

  • PhD. in computer science, computational chemistry, or related field
  • Fluency in scientific programming and tool development with Python
  • Proven record of innovative thinking to propose and champion the development of novel algorithms and AI/ML models that generate interpretable and actionable results for practical applications
  • Experience with software development best practices, including code versioning, documentation, and testing, amongst others
  • Experience with deep learning frameworks (e.g., PyTorch)
  • Experience with cloud computing
  • Creative, open-minded and passionate about scientific research
  • Demonstrated ability to thrive in a team environment
  • Strong external publication record

What you can expect of us

As we work to develop treatments that take care of others, we also work to care for our teammates’ professional and personal growth and well-being.

The annual base salary range for this opportunity in the U.S. is $135,935 - $163,269.

In addition to the base salary, Amgen offers a Total Rewards Plan comprising health and welfare plans for staff and eligible dependents, financial plans with opportunities to save towards retirement or other goals, work/life balance, and career development opportunities including:

  • Comprehensive employee benefits package, including a Retirement and Savings Plan with generous company contributions, group medical, dental and vision coverage, life and disability insurance, and flexible spending accounts.
  • A discretionary annual bonus program, or for field sales representatives, a sales-based incentive plan
  • Stock-based long-term incentives
  • Award-winning time-off plans and bi-annual company-wide shutdowns
  • Flexible work models, including remote work arrangements, where possible

Objects in your future are closer than they appear. Join us.


Join our newsletter to get monthly updates on data science jobs.