Senior/Principal AI Scientist for Large Molecule - AIDD
Senior/Principal AI Scientist for Large Molecule - AIDD
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Job Description
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
Primary Purpose of Job
The China Innovation Center of Roche (CICoR) is seeking a highly skilled Artificial Intelligence (AI) scientist to join the AI Data and Digital (AIDD) team. This pivotal role focuses on applying cutting-edge AI/Machine Learning (ML) methodologies to large molecule drug discovery especially antibodies to revolutionize their design discovery optimization and understanding. The successful candidate will work in an exciting and multidisciplinary environment alongside AI researchers ML engineers and computational scientists committing to driving innovation through cutting-edge AI methods with real-world impact in the drug discovery field.
Responsibilities
Lead the AI strategy to establish and develop capabilities for large molecule drug discovery to enhance drug portfolio success and R&D productivity in CICoR.
Identify develop and implement advanced AI/ML models and solutions for antigen-antibody interactions antibody design engineering and optimization.
Collaborate extensively with Biologics Discovery & Development (BDD) team including antibody engineers and experimental scientists to develop best- or first-in-class antibody therapeutics.
Explore and stay current in cutting edge AI models (e.g. multimodal large language model diffusion) for antibody de novo generation affinity maturation developability optimization immunogenicity dual specific antibody and new emerging portfolio needs.
Communicate with data scientists AI researchers and informatics experts within AIDD and across Roche organization (e.g. pRED Genentech Roche Informatics) to exchange learnings and collaborate on projects.
(For Principal): Lead significant AI/ML projects/initiatives across CICoR or global Roche sites providing technical leadership and mentorship.
Requirements
Ph.D. in Machine Learning Computer Science Computational Biology Biological Science Structural biology Bioinformatics Biophysics Chemistry or a closely related quantitative discipline.
Senior Scientist: Minimum 3 years of industry experience (post-Ph.D) in applying AI/ML to biologics discovery (pharmaceutical biotech or relevant AI startup preferred).
Principal Scientist: Minimum 7 years of industry experience (post-Ph.D) demonstrating significant leadership in computational and AI/ML biologics discovery a strong publication record and proven mentorship ability.
Profound expertise in developing and applying state-of-the-art deep learning models (e.g. GNNs Transformers GANs VAEs Diffusion and LLMs).
Strong programming skills in Python and proficiency in deep learning frameworks (PyTorch/TensorFlow).
Deep understanding and hands-on experience on construction or modification of AI/ML and computational applications in large molecule drug discovery for example:
Protein structure prediction (e.g. AlphaFold3 ABodyBuilder2) for antigen-antibody complexes.
Antigen-antibody binding affinity prediction and optimization (e.g. AlphaBind).
Protein sequence design and inverse folding (e.g. ProteinMPNN or AbMPNN for antibody CDRs including ensemble methods).
Computational protein modeling design and analysis (e.g. Rosetta MOE) for antibody engineering ligand docking macromolecular interactions.
De novo antibody design by diffusion or foundation models (e.g. RFdiffusion Chai-1/2) to generate a novel and high-affinity antibody.
Developability and multi-parameter optimization for antibodies with integrating high-thoughtput and automated wet-lab platforms (lab-in-the-loop).
Strong passion for applying AI to drug R&D continuous learning in large molecules and excellent problem-solving skills.
Ability to critically assess adapt and innovate upon existing and cutting-edge AI/ML tools to solve novel biologics problems.
Experience in AIOps/MLOps container orchestration (Kubernetes) cloud-native development or high-performance computing (HPC) environments is a plus.
Strong communication skills in both English and Mandarin.
Self-motivated collaborative and agile mindset thriving in a fast-paced innovative environment.
(For Principal): Proven leadership and track records in successfully driving impactful AI solutions and project management.
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.
Required Experience:
Staff IC
Employment Type
Full-Time
