Principal AI Research Scientist - Molecular & Biomolecular Foundation Models

Work Your Magic with us!

Ready to explore, break barriers, and discover more? We know you’ve got big plans – so do we! Our colleagues across the globe love innovating with science and technology to enrich people’s lives with our solutions in Healthcare, Life Science, and Electronics. Together, we dream big and are passionate about caring for our rich mix of people, customers, patients, and planet. That's why we are always looking for curious minds that see themselves imagining the unimaginable with us.

United As One for Patients, our purpose in Healthcare is to help create, improve and prolong lives. We develop medicines, intelligent devices and innovative technologies in therapeutic areas such as Oncology, Neurology and Fertility. Our teams work together across 6 continents with passion and relentless curiosity in order to help patients at every stage of life. Joining our Healthcare team is becoming part of a diverse, inclusive and flexible working culture, presenting great opportunities for personal development and career advancement across the globe.

Your role

In this role, you will develop and apply advanced foundation and generative models for molecular and biomolecular data , creating new AI capabilities for drug discovery and molecular design. You will work across relevant representations and modalities, including molecular structures, protein sequences and structures, protein complexes and interactions, and other molecular and biological data.

You will conceptualize, design, train, adapt, and rigorously evaluate large-scale AI models addressing scientific problems such as molecular generation and optimization, protein and biomolecule design, structure prediction, co-folding and molecular interactions . Rather than relying only on off-the-shelf models, you will investigate their limitations, adapt state-of-the-art approaches, and develop new methods where these can provide differentiated scientific value.

You will establish scientifically rigorous benchmarks, baselines, and evaluation frameworks to understand when emerging models genuinely improve performance on relevant R&D tasks. You will work with internal scientific experts to translate drug-discovery questions into computational problems and connect model development with experimentally meaningful hypotheses and designs.

You will work in an agentic scientific environment , contributing models, methods, and code that can be integrated with scientific tools, data, and broader AI-enabled workflows. You will collaborate closely with computational scientists, biologists, chemists, structural biologists, and AI engineers, and contribute to scientific publications, conferences, and external research collaborations.

Who you are

- Master's degree or PhD in computer science, machine learning, computational biology, computational chemistry, bioinformatics, or a related quantitative discipline; PhD is strongly preferred .
- At least 3 years of relevant industry experience , preferably applying advanced machine learning to drug discovery or biological research.
- Deep hands-on expertise developing and training deep-learning, foundation, or generative models.
- Experience with molecular, protein, structural, or other biomolecular data.
- Strong Python skills and experience with modern deep-learning frameworks such as PyTorch.
- Practical experience with large-scale model training and evaluation using GPU/cloud computing environments.
- Demonstrated ability to establish benchmarks, compare models rigorously, and translate method development into meaningful scientific applications.
- Strong record of scientific innovation demonstrated through research outputs, deployed methods, publications, patents, open-source contributions, or comparable achievements.

What we offer: We are curious minds that come from a broad range of backgrounds, perspectives, and life experiences. We believe that this variety drives excellence and innovation, strengthening our ability to lead in science and technology. We are committed to creating access and opportunities for all to develop and grow at your own pace. Join us in building a culture of inclusion and belonging that impacts millions and empowers everyone to work their magic and champion human progress!

Apply now and become a part of a team that is dedicated to Sparking Discovery and Elevating Humanity!