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Job Details

Bristol Myers Squibb

Senior Principal Scientist, Machine Learning, Molecule Design and Prediction

Science and Research



San Diego, California, United States

Working with Us
Challenging. Meaningful. Life-changing. Those aren’t words that are usually associated with a job. But working at Bristol Myers Squibb is anything but usual. Here, uniquely interesting work happens every day, in every department. From optimizing a production line to the latest breakthroughs in cell therapy, this is work that transforms the lives of patients, and the careers of those who do it. You’ll get the chance to grow and thrive through opportunities uncommon in scale and scope, alongside high-achieving teams rich in diversity. Take your career farther than you thought possible.

Bristol Myers Squibb recognizes the importance of balance and flexibility in our work environment. We offer a wide variety of competitive benefits, services and programs that provide our employees with the resources to pursue their goals, both at work and in their personal lives. Read more:

When you join BMS, you are joining a diverse, high-achieving team united by a common mission.

The Informatics and Predictive Sciences (IPS) mission is to Pioneer, Partner and Predict to drive transformative insights for patient benefit. IPS conducts applied computational research in areas that include genomic, structural and molecular informatics, computational and systems biology, patient selection and translational biomarker research, and broader fields including knowledge science, epidemiology and machine learning—across the full lifecycle of drug discovery and development and across all therapeutic areas at BMS. We do this in close partnership with scientific and clinical experts in the field, both inside and outside the company.  We perform innovative science to empower key data-driven decisions across a rich pipeline of next-generation medicines. In doing so, our work transforms the lives of patients, as well as our own lives and careers.

Here, you’ll get the chance to grow and thrive through opportunities that are uncommon in scale and scope. You’ll pursue innovative ideas while advancing professionally alongside some of the brightest minds in biopharma.

We seek an enthusiastic and team-oriented machine learning scientist with expertise in small-molecule design and prediction to join our Predictive Sciences team. You will contribute to a thoughtful, exciting, and cross-functional effort to apply AI/ML towards the development of novel therapies. As a senior member, your impact will include producing innovative methods, establishing analysis workflows, and leading project teams.

Through this role, you will perform key research activities, including:

  • improving predictive models by implementing active learning workflows in collaboration with high-throughput assay teams,
  • accelerating screening efforts through ML in collaboration with chemoinformaticians, and
  • designing novel therapeutic compounds by leveraging generative approaches in collaboration with medicinal chemists

You will work as a valued member on a multidisciplinary team that is committed to leveraging computational analyses to optimize the rational design and experimental evaluation of promising drug candidates. This role offers unprecedented opportunity to impact, directly, the origination and delivery of transformational and life-changing therapies in key diseases of unmet medical need. We encourage inquiries from those with a strong background in AI/ML who also have a keen interest in innovation and interdisciplinary application of computational approaches to life sciences data.


  • Deploy public and proprietary deep learning models to advance our ability to predict SAR and molecular interactions.
  • Steer cross-functional collaborations to validate in silico findings and improve ML-informed discovery workflows.
  • Develop machine learning approaches that supplement molecular dynamics methods to improve early screening efforts.
  • Analyze chemistry, proteomics, transcriptomics, and other high throughput assay data from internal, published, and partner sources.
  • Communicate methods, results, and recommendations in multiple settings – including team and project meetings and seminars, and academic conference and journal publications.
  • Contribute to planning and execution of projects with leading academic and commercial research groups worldwide.

Basic Qualifications:

  • Bachelor's Degree in computer science, chemoinformatics, bioinformatics, or a related field and 10+ years of academic / industry experience
  • OR Master's Degree in computer science, chemoinformatics, bioinformatics, or a related field and 8+ years of academic / industry experience
  • OR PhD in computer science, chemoinformatics, bioinformatics, or a related field and 7+ years of academic / industry experience
  • 2+ years of leadership experience

Preferred Qualifications:

  • Ph.D in computer science, chemoinformatics, bioinformatics, or a related field with 7+ years of relevant experience.
  • Strong experience with contemporary deep learning methods; preferably with demonstrated applications of models in the areas of active learning, generative machine learning, graph neural networks, geometric deep learning, or large language modeling.
  • Experience applying predictive approaches to biological and chemistry data to direct discovery or decision-making.
  • Expertise in scientific programming languages (e.g., Python, R) and libraries (e.g., PyTorch, Tensorflow), cloud-based computing, and data manipulation.
  • Demonstrated ability to propose relevant machine learning solutions for challenges in small-molecule discovery and development; and to execute on a sound scientific strategy that drives towards solutions
  • Excellent verbal and written communication skills. Verbal and written English language fluency are prerequisite.

The starting compensation for this job is a range from $159,000-$185,000, plus incentive cash and stock opportunities (based on eligibility).

The starting pay rate takes into account characteristics of the job, such as required skills and the where the job is performed.

Final individual compensation will be decided based on demonstrated experience.

For more on benefits, please visit our

Eligibility for specific benefits listed on our BMS Careers site may vary based on the job and location.


If you come across a role that intrigues you but doesn’t perfectly line up with your resume, we encourage you to apply anyway. You could be one step away from work that will transform your life and career.

Uniquely Interesting Work, Life-changing Careers
With a single vision as inspiring as “Transforming patients’ lives through science™ ”, every BMS employee plays an integral role in work that goes far beyond ordinary. Each of us is empowered to apply our individual talents and unique perspectives in an inclusive culture, promoting diversity in clinical trials, while our shared values of passion, innovation, urgency, accountability, inclusion and integrity bring out the highest potential of each of our colleagues.

On-site Protocol
Physical presence at the BMS worksite or physical presence in the field is a necessary job function of this role, which the Company deems critical to collaboration, innovation, productivity, employee well-being and engagement, and it enhances the Company culture.

BMS is dedicated to ensuring that people with disabilities can excel through a transparent recruitment process, reasonable workplace accommodations/adjustments and ongoing support in their roles. Applicants can request a reasonable workplace accommodation/adjustment prior to accepting a job offer. If you require reasonable accommodations/adjustments in completing this application, or in any part of the recruitment process, direct your inquiries to Visit to access our complete Equal Employment Opportunity statement.

BMS cares about your well-being and the well-being of our staff, customers, patients, and communities. As a result, the Company strongly recommends that all employees be fully vaccinated for Covid-19 and keep up to date with Covid-19 boosters.

BMS will consider for employment qualified applicants with arrest and conviction records, pursuant to applicable laws in your area.

Any data processed in connection with role applications will be treated in accordance with applicable data privacy policies and regulations.