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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 Large Molecule Drug Discovery group within Prescient Design / (MLDD - Machine Learning for Drug Discovery) in Roche/Genentech seeks exceptional researchers who have a demonstrated research background in machine learning and protein structural biology and design a passion for independent research and technical problem-solving and a proven ability to develop and implement ideas from research.
The group provides a dynamic and challenging environment for cutting-edge multidisciplinary research including access to heterogeneous data sources close links to top academic institutions around the world as well as internal Genentech Research and Early Development (gRED) and Pharmaceutical Research and Earl y Development (pRED) partners and research units. Our mission is to develop and apply machine learning methods in designing novel macromolecules. Researchers in this role will develop and apply new deep learning-based methods for large molecule property prediction and de novo generative design.
You will join Prescient Design and you will work with a group of talented AI/ML scientists & engineers structural/computational biologists located in Basel Switzerland and hosted by Roche.
Participate in cutting-edge research in ML structural biology and physics-based modeling applications to drug discovery and design.
Collaborate closely with cross-functional teams and contribute to therapeutic development efforts across gRED & pRED to solve complex problems including developing models to predict antigen-antibody affinity and developability properties and to perform generative design of de novo macromolecules.
Refine models and workflows by performing exploratory data analysis interrogating scientific hypotheses and rigorous model selection.
Deliver deep learning based software solutions for accelerating drug discovery design and therapeutic development.
Develop the teams culture. Write structured tested readable and maintainable code.
Contribute to publications and present results at internal and external scientific conferences workshops and venues.
Ph.D. in Computer Science Computational Biology Statistics Applied Math Physics Chemistry or related technical field to be eligible you must be within the first four years of completing your PhD at the start of the project
Demonstrated experience with Python and deep learning libraries such as Pytorch and/or Jax TensorFlow
Extensive knowledge of generative diffusion or flow models for statistical physics systems such as statistical physics small molecules peptides or proteins.
Excellent communication and collaboration skills with intense curiosity to bridge the field of machine learning and physics-based structural modeling
Demonstrated research experience including at least one first author publication or equivalent at the top machine learning conferences (e.g. ICML ICLR NeurIPS etc.)
Furthermore preferred
Prior experience or familiarity with combining generative models with monte carlo sampling. Extensive knowledge of Monte-Carlo algorithms such as HMC or Molecular Dynamics.
Prior experience in extending autograd engines with custom ops.
Experience with kernel learning ideally Gaussian processes in a biological context
The duration of the project is initially set for two years with the possibility of extension for a third year. You will be based in Basel Switzerland.
How to Apply
Applications should include a CV motivation letter and a list of publications.
Unwavering focus collaborative teamwork and exceptional delivery are key behaviors that drive our mission of doing now what patients need next. Together we can be transformative.
If you are passionate about contributing to a committed team and have the dedication to partnership and innovation Roche is the place for you! Every role at Roche plays a part
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.
Full-Time