Senior ML Scientist, Molecular AI & Drug Discovery

DTU — Technical University of Denmark; Gentofte Kommune; On-site; DKK 743,000 - 1,092,000; Full time

Job summary

Novo Nordisk in Måløv, Denmark is seeking a Lead Machine Learning Scientist to advance predictive modelling in molecular design and drug discovery. You will collaborate across Denmark and the US, applying state-of-the-art ML to solve complex scientific challenges and create impact across the R&D portfolio.

You will lead projects, mentor scientists, and communicate results to stakeholders, contributing to publications, patents, and external visibility.

Qualifications

• PhD in ML or related quantitative field with industry experience.
• Experience applying ML to molecular design or computational drug discovery.
• Strong PyTorch expertise; experience training and deploying models.
• Experience leading technical projects across scientific, engineering, and experimental teams.
• Excellent communication and stakeholder management skills.

Responsibilities

• Lead predictive modelling projects from problem definition through deployment and impact assessment.
• Develop and apply advanced ML approaches for molecular design and modelling.
• Partner with experimental scientists, engineers, data scientists, and computational experts to translate questions into scalable solutions.
• Provide technical leadership and mentoring to junior ML scientists.
• Communicate insights to stakeholders and contribute to publications, patents, and external visibility.

Skills

Project leadership

Mentoring

Stakeholder management

Communication

Cross-functional collaboration

Molecular AI knowledge

Education

PhD in ML or related quantitative field

Tools

PyTorch

Job description

Novo Nordisk in Måløv, Denmark is seeking a Lead Machine Learning Scientist to advance predictive modelling in molecular design and drug discovery. You will collaborate across Denmark and the US, applying state-of-the-art ML to solve complex scientific challenges and create impact across the R&D portfolio.

You will lead projects, mentor scientists, and communicate results to stakeholders, contributing to publications, patents, and external visibility.