Machine Learning And Ai Specialist-associate Principal Scientist
AstraZeneca
Beijing, China
Phd in computational chemistry or computer science
Expert proficiency in python and pytorch
Experience with graph neural networks and transformers
This role involves designing and scaling machine learning models such as transformers and diffusion models specifically for predicting molecular properties and structures
Job Summary
This role involves designing and scaling machine learning models such as transformers and diffusion models specifically for predicting molecular properties and structures.
Candidates will lead the implementation and optimization of protein-ligand and protein-protein complex prediction workflows within a collaborative global R&D team.
The position offers the opportunity to publish research in high-quality journals and present findings at national and international conferences.
Matching Summary
This role involves designing and scaling machine learning models such as transformers and diffusion models specifically for predicting molecular properties and structures.
Skills & Requirements
Must-have
PhD in Computational Chemistry or Computer Science
Expert proficiency in Python and PyTorch
Experience with graph neural networks and transformers
Building scalable ML pipelines on cloud/cluster environments
Proven track record in AI for drug discovery
Nice-to-have
Knowledge of protein structure dynamics modeling
Experience with MLOps tooling like Airflow and Kubeflow
Peer-reviewed publications in computational chemistry
Familiarity with large-scale data integration systems
Hands-on experience with GPU acceleration and parallelization
Key Requirements
PhD degree required
Expert level Python programming skills
Significant practical experience in predictive AI/ML methods