Novo Nordisk · 1 day ago
Senior Lead Data Scientist - Molecular AI
Lexington, MA
Full-time
Hybrid
Senior Level, Lead/Staff
6+ years expNovo Nordisk is a leader in life science innovation, focusing on developing new medicines for patients. The Sr. Lead/Principal ML Scientist – Molecular AI will lead the development of generative AI methodologies for computational drug design, influencing R&D priorities and mentoring junior scientists.
BiotechnologyHealth CareMedicalPharmaceutical
Responsibilities
Provide senior scientific leadership: identify capability gaps, set goals, and lead initiatives that deliver business impact
Lead research and development of generative AI methodologies for computational drug design; advance, optimize, and deploy models that balance multiple design criteria
Translate computational insights into experimental strategies and leverage the organization’s substantial data-generation capabilities to train and validate models
Develop and implement new deep learning approaches (e.g., diffusion models, reinforcement/active learning, LLMs for molecular design) and maintain a well-documented, reusable codebase with traceable model history
Represent MolAI externally and internally: publish in top venues, present at conferences, and build collaborations with academic and commercial partners
Mentor and grow talent: lead, guide, and develop junior ML scientists and engineers; promote best practices in version control, CI/testing, and model reproducibility
Participate in cross-functional teams and program readouts, partnering closely with Digital Chemistry and Design, experimental scientists, research engineers, and IT
Publish research in developing AI methods (example in ICLR, NeurIPS, ICML, Nature, Science, Cell etc.)
Advise leadership in the formation of global teams of experts to address specialized tasks
Drive the implementation of data science best practices across Novo Nordisk
Demonstrates ability to drive frequent collaborations with external commercial and academic partners
Qualification
Required
Master's degree or PhD highly preferred. Minimum of Bachelor's degree required. Degree within machine learning, computer science, computational chemistry or a related quantitative discipline preferred
Master's Degree with 8+ years' relevant experience, or PhD with 6+ years' relevant experience or a Bachelor's degree with 10+ years' relevant experience, can be considered
Strong track record with modern molecular design AI technologies and a demonstrated history of leadership and cross-disciplinary impact
Deep proficiency in Python and PyTorch; experience training, fine-tuning and deploying large models on GPUs and HPC environments
Experience with modern version control, CI/testing systems, and well-documented code practices
Knowledge in at least two of: deep learning, diffusion models, reinforcement/active learning, LLMs in molecular design
Demonstrated ability to translate computational work into experimental strategies and influence program decision-making
Strong publication record or clear thought leadership in AI for biology/molecular design
Excellent communication, collaboration, and mentorship skills
Detail oriented with strong documentation skills as demonstrated through examples from your GitHub repository or publications
Excellent written and oral communication skills; experience presenting technical results to diverse scientific audiences
Demonstrated ability to generate valuable and relevant ideas, create concepts based on ideas, and develop new products based on concepts
Ability to set AI project metrics and drive activities to meet those metrics
Benefits
Competitive compensation package
Support of a healthy work-life balance
Company
Novo Nordisk
Novo Nordisk is a healthcare company that produces and distributes insulin and other diabetes drugs to treat chronic diseases.
10001+ employees
H1B Sponsorship
Novo Nordisk has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2025 (25)
2024 (21)
2023 (13)
2022 (10)
2021 (9)
2020 (12)
Funding
Current Stage
Public CompanyTotal Funding
$22M2018-12-05Post Ipo Equity· $22M
1981-07-09IPO
Leadership Team
Lars Fruergaard Jørgensen
President and CEO
Lars Sorensen
President & CEO
Recent News
2026-01-11
2026-01-11
Company data provided by crunchbase