Senior AI Research Scientist – Remote-Ready Drug Discovery

Aqemia; Paris; Hybrid; EUR 120,000 - 180,000; Full time

Benefits offered by this job

Flexible work arrangements

Job summary

Aqemia is seeking a Senior AI Research Scientist to join its Drug Discovery Platform AI team in Paris/London. You will develop cutting-edge AI models to predict molecular properties and protein-ligand interactions, including uncertainty quantification and multi-fidelity optimization.

You will mentor colleagues, drive research-to-production, and stay at the forefront of AI for drug discovery while collaborating across chemistry, biology, and data science teams.

Qualifications

• PhD in Computer Science, Mathematics, Physics, AI/ML or related field.
• 8+ years AI/ML research experience in academia or industry.
• Proven track record of state-of-the-art ML models.
• Strong Python and DL frameworks (PyTorch, JAX, TensorFlow).
• Ownership of research projects and transition to production.
• Strong problem-solving, collaboration and communication.

Responsibilities

• Develop ML models to predict molecular properties and protein-ligand interactions with focus on accuracy and uncertainty.
• Improve protein-ligand structure prediction building on AlphaFold implementations.
• Contribute to multi-fidelity Bayesian optimization with probabilistic deep learning models.
• Own a key ML project from research to production.
• Stay current with literature, benchmark ideas, and propose improvements.
• Collaborate with AI researchers, computational chemists and drug discovery teams.
• Mentor team members on modeling, implementation, and best practices.

Skills

PhD in AI/ML/Math/Physics

8+ years AI/ML research

Python & DL frameworks

Research ownership

Communication & teamwork

Education

PhD in Computer Science, Math, Physics or AI

Tools

PyTorch

JAX

TensorFlow

RDKit/OpenMM

Job description

Aqemia is seeking a Senior AI Research Scientist to join its Drug Discovery Platform AI team in Paris/London. You will develop cutting-edge AI models to predict molecular properties and protein-ligand interactions, including uncertainty quantification and multi-fidelity optimization.

You will mentor colleagues, drive research-to-production, and stay at the forefront of AI for drug discovery while collaborating across chemistry, biology, and data science teams.