Associate Director, AI/ML (Biologics)
Takeda
Summary
We are seeking an innovative and dynamic AI/ML Associate Director with a passion for leveraging AI/ML across large molecule drug discovery and development — including antibody design, bispecifics, ADCs, fusion proteins, and other biologics modalities to join our Large Molecule AI/ML team. This role will be part of a multidisciplinary team focused on integrating advanced computational methods with cutting-edge experimental strategies to drive breakthrough discoveries in large molecule therapeutics and deepen our understanding of disease biology. The ideal candidate will have a strong background in computational biology, machine learning, and structural modeling and specifically with the application of AI/ML in diverse biologics modalities, with a demonstrated ability to embed AI/ML capabilities directly within drug programs to address a broad range of discovery and development needs. Beyond technical execution, this Associate Director is expected to operate with a high degree of strategic autonomy: shaping the team’s methodological roadmap, mentoring scientists across functions, and serving as a primary AI/ML voice to senior cross-functional stakeholders in Program teams.
Job description
Position Overview
We are seeking an innovative and dynamic AI/ML Associate Director with a passion for leveraging AI/ML across large molecule drug discovery and development — including antibody design, bispecifics, ADCs, fusion proteins, and other biologics modalities to join our Large Molecule AI/ML team. This role will be part of a multidisciplinary team focused on integrating advanced computational methods with cutting-edge experimental strategies to drive breakthrough discoveries in large molecule therapeutics and deepen our understanding of disease biology. The ideal candidate will have a strong background in computational biology, machine learning, and structural modeling and specifically with the application of AI/ML in diverse biologics modalities, with a demonstrated ability to embed AI/ML capabilities directly within drug programs to address a broad range of discovery and development needs. Beyond technical execution, this Associate Director is expected to operate with a high degree of strategic autonomy: shaping the team’s methodological roadmap, mentoring scientists across functions, and serving as a primary AI/ML voice to senior cross-functional stakeholders in Program teams.
Key Responsibilities
- Develop and implement state-of-the-art AI/ML methodologies for de novo biologics design and optimization across modalities including antibodies, bispecifics, VHH/nanobodies including fine-tuning protein language models and generative protein design.
- Develop, implement, and deploy advanced machine learning algorithms for the multi-objective optimization of antibodies, antigens, ADCs, and other biologics.
- Build tools to incorporate data from integrated Design-Predict-Make-Confirm cycles with automated experimental platforms generating quality data at scale needed for project-specific and foundational models.
- Innovate, develop, and apply predictive models for protein design and developability engineering, utilizing large-scale NGS, in vitro, in vivo and other proprietary in-house and external data sources.
- Manage and process large-scale biological datasets for model training and evaluation.
- Stay abreast of advancements in NLP, ML, and generative AI to build novel tools that enhance therapeutic discovery and development.
- Communicate complex scientific ideas effectively to both technical and non-technical audiences, fostering collaboration across multidisciplinary teams.
- Proactively identify and champion opportunities to apply AI/ML across the drug program portfolio, engaging program teams early to scope computational contributions and translate scientific questions into tractable ML problems.
- Represent the AI/ML function as a scientific and strategic partner to senior cross-functional stakeholders, including Discovery Biology, CMC, and Program Leadership, contributing to portfolio-level decision-making.
Qualifications
- PhD degree in a scientific discipline (or equivalent) with 6+ years relevant experience, or MS with 12+ years relevant experience, or BS with 14+ years relevant experience.
- Proven track record in developing machine learning models for chemical and biological data, including AI/ML-enabled molecular generation and affinity prediction.
- Demonstrated experience in modeling antibody/ antigen sequence, structure and interaction.
- Proficiency in programming languages such as Python and experience with cloud computing capabilities.
- Strong analytical and problem-solving skills, with demonstrated creativity and the ability to contribute individually and collaboratively.
- Versatile communicator who can elucidate complex ideas to non-specialists and commitment to continuous improvement and innovation.
- Demonstrated learning agility, and scientific curiosity while maintaining focus on driving greater impact in the face of uncertainty and change.
- Strong problem-solving aptitude and strategic thinking with an entrepreneurial mindset.
Preferred Qualifications & Skills
- Experience developing or applying modern ML architectures for antibody design models (LLMs, diffusion models, flow-matching, Bayesian Optimization, GNNs, etc.)
- Experience designing de novo binders for specified targets and epitopes.
- Experience analyzing NGS-derived antibody repertoires for sequence- and structure-based design.
- Experience with molecular simulation and conformational analysis techniques.
Additional Information
The position will be based in Cambridge, MA.
Requirements
- PhD degree in a scientific discipline (or equivalent) with 6+ years relevant experience, or MS with 12+ years relevant experience, or BS with 14+ years relevant experience
- Proven track record in developing machine learning models for chemical and biological data, including AI/ML-enabled molecular generation and affinity prediction
- Demonstrated experience in modeling antibody/antigen sequence, structure and interaction
- Proficiency in programming languages such as Python and experience with cloud computing capabilities
- Strong analytical and problem-solving skills, with demonstrated creativity and the ability to contribute individually and collaboratively
- Versatile communicator who can elucidate complex ideas to non-specialists and commitment to continuous improvement and innovation
- Demonstrated learning agility, and scientific curiosity while maintaining focus on driving greater impact in the face of uncertainty and change
- Strong problem-solving aptitude and strategic thinking with an entrepreneurial mindset
Company overview
Takeda Pharmaceutical Company Limited is a Japanese multinational pharmaceutical company founded in 1781 and incorporated in 1925. As one of the world's top 20 largest pharmaceutical companies by revenue and the third largest in Asia, Takeda specializes in developing and commercializing innovative medicines across several therapeutic areas including oncology, rare diseases, neuroscience, gastroenterology, plasma-derived therapies, and vaccines. With approximately 49,095 employees globally, the company operates research and development centers, manufacturing facilities, and commercial operations across 39 U.S. states and numerous countries worldwide. Takeda maintains dual headquarters in Tokyo and Osaka, Japan, with significant operations in Cambridge, Massachusetts, where it serves as the largest life sciences employer in the state. The company's patient-focused approach is guided by its Takeda-ism values of Integrity, Fairness, Honesty, and Perseverance, emphasizing a commitment to delivering life-transforming treatments while advancing sustainable healthcare solutions. Takeda's extensive portfolio includes both innovative biologics and small molecule drugs, supported by strategic acquisitions and partnerships that have expanded its capabilities in areas such as immuno-oncology and rare disease treatments.