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# Machine Learning Scientist - Small Molecule Drug Design

- **Company:** Roche
- **Location:** Welwyn, UK
- **Contract:** Permanent contract
- **Skills:** Artificial Neural Networks, Github, Python (Programming Language), Machine Learning, Tensorflow, Reinforcement Learning, Gitlab
- **Published:** June 20, 2026
- **Apply:** https://dejobs.org/x/x/01965EA8F4B04784964D7E5F6A692390/job/

## About the Role

* You bring deep machine-learning expertise with a strong foundation in linear algebra, probability and optimization, and hands-on experience designing & implementing machine learning approaches such as graph neural networks, sequence models, and reinforcement learning.
 * You have structure-driven modelling experience with co-folding methods, binding-affinity prediction, and structural-biology datasets.
 * You are fluent in Python and cheminformatics with toolkits such as RDKit and OpenEye, and modern ML frameworks like PyTorchor JAX.
 * You hold a PhD or equivalent research depth in machine learning, computational chemistry, chemical engineering or a related quantitative field such as physics or statistics.
 * You have a record of scientific excellence evidenced by journal and conference publications or a public portfolio of relevant projects (e.g. hosted on GitHub/GitLab)..

Preferred:

 * Hands-on experience building structure-prediction foundation models.
 * Experience collaborating directly with medicinal chemists and structural biologists.



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