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Research Scientist AI/ML Foundational Models

United States, Boston Employment contract 116000.00 - 182270.00 USD / Year · Job Posted June 28, 2026
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Job Description

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.

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