Principal Machine Learning Engineer, ADMET | Pharma/BioTech | Series A - Drug discovery B2B Platform | Fully Remote, EU | £ 700-1,200 per day, Outside IR35 | 6-12 months Contract Length

Summary: The Principal Machine Learning Engineer will lead the technical direction for ADMET modeling within a drug discovery platform, focusing on machine learning applications in the life sciences sector. This role involves hands-on development and collaboration with cross-functional teams to ensure alignment with drug discovery needs. The engineer will also mentor team members and contribute to strategic decisions regarding ML infrastructure and model architecture. This position is fully remote and offers a significant influence over technical direction without direct people management responsibilities.

Key Responsibilities:

• Lead the design and implementation of ML solutions for ADMET using advanced techniques.
• Develop and extend models for specific applications, including data distillation and evaluation.
• Define preprocessing and harmonization strategies for diverse assay datasets.
• Build and maintain scalable, production-grade ML pipelines for training and deployment.
• Collaborate cross-functionally to align ML efforts with drug discovery needs.
• Mentor team members in complex modeling projects in structural biology.
• Contribute to strategic decisions regarding ML infrastructure and deployment processes.
• Author or contribute to scientific publications or open-source software.

Key Skills:

• PhD or equivalent experience in machine learning, computational biology, or related fields.
• Strong track record in applying ML to drug discovery or pharmaceutical R&D.
• Deep experience with ADMET-focused models using graph neural networks and transformers.
• Proficiency in PyTorch or PyTorch Lightning and large-scale model training workflows.
• Advanced understanding of assay protocols and harmonizing heterogeneous datasets.
• Proven ability to deliver ML systems at scale, including distributed GPU training and CI/CD.
• Comfort with modern MLOps tooling, including Docker and Kubernetes.
• Strategic thinking and ability to drive complex modeling goals independently.
• Clear understanding of ADMET models' role in drug discovery workflows.

Salary (Rate): 1200

City: undetermined

Country: United Kingdom

Working Arrangements: remote

IR35 Status: outside IR35

Seniority Level: undetermined

Industry: IT