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At Takeda, we are a forward-looking, world-class R&D organization that unlocks innovation and delivers transformative therapies to patients. By focusing R&D efforts on three therapeutic areas and other targeted investments, we push the boundaries of what is possible to bring life-changing therapies to patients worldwide. ... We are seeking Scientists to develop and deploy foundational AI models that will transform drug discovery across Takeda.
Job Responsibility
Develop and train foundational AI models (LLMs, diffusion models, flow-matching architectures) for drug discovery applications, with capability to pre-train on large-scale scientific corpora and molecular datasets
Fine-tune and adapt pre-trained foundation models for Takeda-specific applications
Build multimodal foundation models integrating diverse data types
Apply and extend state-of-the-art approaches including graph neural networks, transformer-based protein language models, and multimodal learning frameworks
Apply domain expertise in biology, chemistry, and/or disease biology to guide model architecture decisions
Implement state-of-the-art generative architectures for molecular generation, protein design, and multi-objective optimization
Collaborate with computational scientists across domains to deploy foundation models
Stay current with advances in foundation models, generative AI, and multimodal learning
contribute to internal knowledge sharing and external publications.
Requirements
PhD in Computer Science, Machine Learning, Computational Biology, Bioinformatics, or related field or MS with 6+ years relevant experience, or BS with 8+ years relevant experience
Deep expertise in modern deep learning architectures including transformers, diffusion models, and/or generative models
Strong experience training large-scale models with proficiency in PyTorch and distributed training frameworks
Foundational knowledge of biology, chemistry, or disease biology sufficient to guide scientifically meaningful model development
Experience with at least one of: protein language models, molecular generative models, or biomedical vision models
Experience with cloud computing (AWS, GCP) and GPU cluster training at scale.
Nice to have
Experience building or fine-tuning foundation models in pharmaceutical or life sciences settings
Expertise in multimodal learning integrating text, images, and structured molecular data
Experience with omics data analysis (genomics, transcriptomics, proteomics) and knowledge graph
Familiarity with protein structure prediction and 3D molecular representations
Publications in top-tier ML venues or computational biology journals
Experience with model compression, efficient inference, or production deployment of large models
Strong background in large-scale data integration and multimodal modeling for biological systems
Proficiency in Python and ML libraries (PyTorch, TensorFlow, scikit-learn)
familiarity with Unix tools
Excellent collaboration and communication skills.
What we offer
Short-term and/or long-term incentives
Medical, dental, vision insurance
401(k) plan and company match
Short-term and long-term disability coverage
Basic life insurance
Tuition reimbursement program
Paid volunteer time off
Company holidays
Well-being benefits
Up to 80 hours of sick time per calendar year
Up to 120 hours of paid vacation accrual for new hires.