Principal Machine Learning Engineer, ADMET | Pharma/BioTech | Series A - Drug discovery B2B Pla[...]

JR United Kingdom; Leeds; Remote; GBP 120,000 - 160,000; Full time

Job summary

A leading company in the life sciences sector is seeking a Principal Machine Learning Engineer to drive ADMET modeling in drug discovery. This fully remote role offers a competitive salary and the opportunity to influence technical decisions without direct management responsibilities. The ideal candidate will possess a PhD and extensive experience in machine learning applications within pharmaceuticals. Responsibilities include designing ML solutions, mentoring team members, and contributing to strategic ML initiatives.

Benefits

Fully Remote Culture

Stock Options

Flexible hours

Qualifications

• Proven experience applying ML to drug discovery or pharmaceutical R&D.
• Deep experience with ADMET models using graph neural networks and transformers.

Responsibilities

• Design and implement ML solutions for ADMET using graph neural networks.
• Build scalable ML pipelines for training, inference, and deployment.

Skills

Machine Learning

Computational Chemistry

Data Privacy

Strategic Thinking

Education

PhD in Machine Learning

Tools

PyTorch

Docker

Kubernetes

Job description

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Principal Machine Learning Engineer, ADMET | Pharma/BioTech | Series A - Drug discovery B2B Platform | Fully Remote, EU | Base Salary Up to £160,000, plus early equity+benefits, Leeds, West Yorkshire

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Client:

Location:

Leeds, West Yorkshire, United Kingdom

Job Category:

Other

EU work permit required:

Yes

Job Views:

4

Posted:

12.05.2025

Expiry Date:

26.06.2025

Job Description:

Principal Machine Learning Engineer, ADMET | Pharma/BioTech expertise | Series A - Drug discovery B2B Platform | Fully Remote, EU | Base Salary Up to £160,000, plus early equity+benefits

The Client:

A mission-driven technology company in the life sciences domain seeks a Principal Machine Learning Engineer to lead the technical direction for ADMET modeling within its drug discovery platform. The organization enables collaborative model development across partners while maintaining strict data privacy, using a federated data infrastructure.

This hands-on, high-impact role involves working at the intersection of machine learning, computational chemistry, and applied research to advance foundational models in drug discovery. You will be the technical authority on ML architecture, experimentation, and strategy, collaborating with leadership and mentoring engineers and researchers. This is not a people management position but offers significant influence over technical decisions.

Responsibilities:

• Design and implement ML solutions for ADMET using techniques like graph neural networks and transformers.
• Develop and extend models for data distillation, benchmarking, and evaluation.
• Define preprocessing and harmonization strategies for diverse assay datasets.
• Build scalable ML pipelines for training, inference, and deployment.
• Collaborate across teams to align ML efforts with drug discovery needs.
• Mentor team members in complex modeling projects.
• Contribute to strategic decisions on ML infrastructure and deployment.
• Publish scientific papers or open-source software as appropriate.

Expected Milestones:

• By Month 3: Own an ADMET modeling stream and deliver a structured experimentation roadmap.
• By Month 12: Lead multiple ML initiatives with measurable performance improvements and real-world outcomes.

Experience required:

• PhD or equivalent in machine learning, computational biology, chemistry, or cheminformatics.
• Proven experience applying ML to drug discovery or pharmaceutical R&D.
• Deep experience with ADMET models using graph neural networks and transformers.
• Proficiency with PyTorch/PyTorch Lightning and large-scale training workflows.
• Understanding of assay protocols and data harmonization.
• Experience with ML deployment, distributed training, CI/CD, and versioning.
• Familiarity with MLOps tools like Docker, Kubernetes, cloud platforms.
• Strategic thinking and ability to work independently on complex goals.
• Understanding of ADMET models' role in drug discovery workflows.

Remuneration:

• Fully Remote Culture
• Up to £160,000 Base Salary
• Stock Options
• B2B & Full-time options
• Flexible hours, CET ±3 hours

If you match this profile, send your CV, and we will contact you if suitable.