Senior Scientist/Associate Principal Scientist, AI for small-molecule
Core
Design, develop, and implement advanced AI/ML models for small-molecule hit-finding and optimization in drug discovery.
Role type
Senior Scientist/Associate Principal Scientist, AI for small-molecule
Builds
AI-driven solutions for predictive modeling, de novo design, and hit optimization in small-molecule drug discovery
Domain
Biopharmaceuticals / Computational Chemistry / AI for Science
Deliverable
production ML models
Required skills
Machine learning model development (self-supervised and supervised), Python programming, TensorFlow/PyTorch/JAX, large-scale scientific dataset curation, integration of domain knowledge in chemistry and biophysics, strategic partnership building, scientific publication
Preferred skills
Protein structure prediction (co-folding), multi-modal machine learning, cloud computing and data engineering, publication record in top-tier AI/cheminformatics journals
Technologies
TensorFlow, PyTorch, JAX
Responsibilities
Design and benchmark AI/ML models for structure prediction and affinity prediction; collaborate with chemists to discover optimized hits; integrate ML with domain knowledge to generate validated predictions; develop agentic solutions for drug discovery; identify and build strategic partnerships in China; contribute to scientific publications and patents
Seniority
Senior Scientist to Associate Principal Scientist (level depends on experience)
