Scientist Senior Scientist in Cheminformatics

At Roche you can show up as yourself embraced for the unique qualities you bring. Our culture encourages personal expression open dialogue and genuine connections where you are valued accepted and respected for who you are allowing you to thrive both personally and professionally. This is how we aim to prevent stop and cure diseases and ensure everyone has access to healthcare today and for generations to come. Join Roche where every voice matters.

The Position

We are seeking a highly motivated Scientist / Senior Scientist in Cheminformatics to join our small-molecule team within the AI for Drug Discovery organization at Roches Computational Sciences Center of Excellence. As a core contributor addressing key drug discovery challenges at the intersection of AI and established computational technologies you will develop and apply cheminformatics and computational approaches implement robust scientific software and analyze complex datasets to accelerate molecular design and hypothesis generation.

In this role you will operate at the interface between computational methods AI models and experimental workflows. Whether developing workflows to analyze biochemical data enabling AI technologies or independently creating scalable cheminformatics applications your work will directly support the discovery of new therapeutic projects. You will collaborate closely with machine learning scientists computational and medicinal chemists and structural biologists to translate scientific needs into impactful computational solutions.

The Opportunity

• Design build and maintain reliable cheminformatics pipelines and workflows that enable AI models medicinal chemistry insights and related structural biology tools.

• Collaborate with cross-functional partners (ML scientists experimentalists chemists) to tackle critical challenges in small-molecule drug discovery.

• Curate integrate and leverage diverse biochemical biophysical and chemical datasets to advance AI models analyses and discovery workflows.

• Apply and refine best practices in data analysis scientific software development and algorithm design.

• Contribute to the scientific community through documentation internal communication conference presentations and written reports or publications.

Who You Are

• You hold a PhD in a physical or quantitative discipline with 02 years of experience or a BS/MS with 5 years of relevant industry research experience.

• You have a proven track record of innovating and delivering cheminformatics solutions scientific software and independent data analyses demonstrated by substantial co-authorship on publications internal reports or conference presentations.

• You are fluent in cheminformatics/modeling toolkits (e.g. RDKit OpenEye) Python and modern ML frameworks (e.g. PyTorch scikit-learn).

• You have deep experience with chemical datasets and concepts such as LBDD/SBDD and protein structures; knowledge of adjacent areas such as Quantum Mechanics is a plus.

• You are an effective communicator who fosters team collaboration and can translate scientific ideas from non-data scientists into practical computational solutions. A public project portfolio (GitHub/GitLab) is a plus.

Ready to take the next step Wed love to hear from you. Apply now to explore this exciting opportunity!

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Where pay transparency applies details are provided based on the primary posting location. For this role the primary location is Basel. If you are interested in additional locations where the role may be available we will provide the relevant compensation details later in the hiring process.

Who we are

A healthier future drives us to innovate. Together more than 100000 employees across the globe are dedicated to advance science ensuring everyone has access to healthcare today and for generations to come. Our efforts result in more than 26 million people treated with our medicines and over 30 billion tests conducted using our Diagnostics products. We empower each other to explore new possibilities foster creativity and keep our ambitions high so we can deliver life-changing healthcare solutions that make a global impact.

Lets build a healthier future together.

Roche is an Equal Opportunity Employer.