Senior AI Scientist- Molecular Discovery- CDI- F/M
Core
Design, build, and maintain generative AI workflows and data-driven protocols to support drug discovery programs, specifically accelerating the identification of high-quality drug candidates in oncology.
Role type
Senior AI Scientist (Molecular Discovery)
Builds
Automated pipelines combining AI-driven methods with physics-based simulations for chemical space exploration and molecular optimization.
Domain
Pharmaceutical / Oncology / Computational Chemistry
Deliverable
production ML models
Required skills
Deep learning architecture design (diffusion models, GNNs, Attention-based models), Physics-aware AI integration, Python (PyTorch, PyTorch Geometric, RDKit, NumPy, SciPy), Unix/Linux environments, High-performance computing (HPC) management, Chemical informatics
Preferred skills
Experience applying ML techniques to molecular systems or drug design, Knowledge of AI-driven structural prediction, Ability to integrate physical constraints into ML frameworks
Technologies
PyTorch, PyTorch Geometric, RDKit, NumPy, SciPy, Git
Responsibilities
Designing and implementing robust, automated pipelines that combine AI-driven methods with physics-based simulations; Developing workflows for accurate structure prediction of biomolecular interactions using diffusion models; Implementing and refining AI-based protocols for sampling protein-ligand conformations; Evaluating and incorporating emerging methods from peer-reviewed literature; Developing production-grade Python scripts and libraries to automate routine computational tasks; Acting as a technical bridge between medicinal chemistry and data science
Seniority
Senior, hands-on IC
