Senior Specialist, Data Science / Modeling & Informatics
Core
Building algorithms, tools, and workflows integrating predictive modeling, agentic scientific reasoning, and physics-based insight to advance drug design and development.
Role type
Senior IC computational scientist (AI/ML & computational chemistry)
Builds
Next-generation systems that reason across multiple data sources, evaluate molecular hypotheses, and learn from experimental feedback in the DMTA cycle.
Domain
Biopharma / Drug Discovery / Computational Chemistry
Deliverable
production ML models
Required skills
Deep learning frameworks (PyTorch, JAX), Python, Agentic AI frameworks, Linux HPC, Scientific programming, Molecular modeling, Data science
Preferred skills
Graph neural networks, Transformers, Diffusion models, Generative modeling, Reinforcement learning, Cheminformatics (RDKit), 3D molecular modeling, Molecular dynamics, Quantum chemistry, Scientific software engineering
Technologies
PyTorch, JAX, LangChain, LangGraph, RDKit, Linux
Responsibilities
Develop novel AI/ML algorithms for representation, prediction, generation, and reasoning; Evaluate AI/ML methods against computational and experimental benchmarks; Develop deep-learning approaches combining ML with biophysical understanding; Build agentic workflows integrating models, tools, and data; Collaborate with chemistry teams on molecular design and SAR interpretation; Build reproducible scientific methods and pilot new approaches; Conduct innovative research and mentor scientists.
Seniority
Senior, hands-on IC with mentorship
