Machine Learning Scientist – Deep Learning for Molecular Systems

Are you a skilled machine learning scientist with experience in using the latest artificial intelligence technology to predict molecular properties? Do you want to make a difference in how the next generation of drug candidates are designed? Can you imagine yourself contributing to life changing science? 

We are looking for an early career researcher to join the Molecular AI Department as a Senior Data Scientist. In this role your machine learning skills will play a key role in evolving our AI capacity for molecular design. The role is located at our vibrant AstraZeneca R&D site in Gothenburg, Sweden.  

If you have a few years of postdoctoral experience or have recently completed your PhD, this position will give you a superb opportunity to advance your career to the next level while influencing AstraZeneca’s digital Design, Make, Test and Analyze (DMTA) platforms.  Are you ready to join us? 

Thrive in a place where the brightest and most curious minds seamlessly come together in our inclusive environment.  

What you will do: 
You will have a profound impact on early drug discovery across AstraZeneca by helping us leverage our massive (and constantly expanding) data estate of compounds and measured protein-ligand affinity and other properties to help design and prioritize new molecules for synthesis. Your contributions will include: 

•    Design and implement innovative methods for molecular machine learning, property prediction, uncertainty quantification, explainability and active learning
•    Evaluate and evolve methods for affinity prediction for small molecules and beyond using our unique internal data and data generation capacities  
•    Develop and expand our technology platform for affinity and local property prediction, QSARtuna [https://pubs.acs.org/doi/full/10.1021/acs.jcim.4c00457]
•    Work closely with cross-functional project teams to apply these methods to challenging drug discovery problems 
•    Plan, write and publish high quality scientific papers 
•    Actively participate in mentoring the cohort of Postdocs, PhD students and Master Thesis students in the team 

Essential in the role: 
We believe that you have a true passion for predictive AI and drug design. You have a PhD degree in a relevant computational discipline and experience in using modern machine learning methods to solve scientific problems with real impact. More specifically you have: 

•    A PhD in machine learning, chemistry, physics, bioinformatics or another relevant quantitative discipline or comparable industrial experience 
•    In-depth scientific knowledge of modern machine learning/deep learning techniques, for example graph models, generative models, foundational models, diffusion models or transformers, demonstrated by track record of project deliveries or publications and external presentations 
•    Experience in Python development 
•    Excellent written and verbal communication skills 
•    Highly collaborative attitude 

Desirable in the role:
•    Background in cheminformatics/molecular property prediction highly advantageous  
•    Familiar with drug discovery and/or early development in industry or in a leading academic institution 
•    Collaborative software development experience  
•    Experience with workflow automation and high performance computing environments 
•    Genuine interest in driving science forward through supervising Master thesis and PhD students 

Why AstraZeneca? 
At AstraZeneca we’re dedicated to being a Great Place to Work. Where you are empowered to push the boundaries of science and unleash your entrepreneurial spirit. There’s no better place to make a difference to medicine, patients and society. An inclusive culture that champions diversity and collaboration. Always committed to lifelong learning, growth and development. 

Work policy:
When we put unexpected teams in the same room, we unleash bold thinking with the power to inspire life-changing medicines. In-person working give us the platform we need to connect, work at pace and challenge perceptions. That’s why we work, on average, a minimum of three days per week from the office. But that doesn’t mean we’re not flexible. We balance the expectation of being in the office while respecting individual flexibility. Join us in our unique and ambitious world.

What’s next?
If this sounds like the place and role for you – apply today! 
We look forward to get to know you better! Welcome with your application no later than August 8, 2025.

Additional information:
Our Gothenburg site: https://www.astrazeneca.com/our-science/gothenburg.html    
Life in Gothenburg: https://www.movetogothenburg.com/
Make a move to Global Gothenburg: https://www.youtube.com/watch?v=c-Iqbb4aw38
About BioPharmaceuticals R&D: https://www.astrazeneca.com/r-d.html

Date Posted

16-juli-2025

Closing Date

08-aug.-2025

Our mission is to build an inclusive and equitable environment. We want people to feel they belong at AstraZeneca and Alexion, starting with our recruitment process. We welcome and consider applications from all qualified candidates, regardless of characteristics. We offer reasonable adjustments/accommodations to help all candidates to perform at their best. If you have a need for any adjustments/accommodations, please complete the section in the application form.