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

JR United Kingdom; London; Remote; GBP 136,000 - 160,000; Full time

Job summary

A mission-driven technology company in the life sciences seeks a Principal Machine Learning Engineer to lead ADMET modeling efforts within its drug discovery platform. This role involves designing ML solutions and mentoring engineers while influencing technical direction. The company offers a fully remote culture and competitive salary.

Benefits

Fully Remote Culture

Stock Options

Flexible hours

Qualifications

• Proven ML application in drug discovery or pharma R&D.
• Experience with graph neural networks and transformers for ADMET models.

Responsibilities

• Design and implement ML solutions for ADMET using graph neural networks.
• Mentor team members in modeling projects in structural biology.
• Contribute to strategic decisions on ML infrastructure.

Skills

Machine Learning

Strategic Thinking

Independent Project Driving

Education

PhD in ML, computational biology, chemistry, or cheminformatics

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, London (City of London)

Client:

Location:

London (City of London), 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

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

This hands-on role involves working at the intersection of machine learning, computational chemistry, and 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. While not a management role, it offers significant influence over technical direction.

Responsibilities:

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

Milestones:

• By Month 3: Own an ADMET modeling stream and deliver a roadmap with experimentation plan.
• By Month 12: Lead multiple ADMET ML initiatives with performance improvements and real-world outcomes; serve as a technical voice.

Experience Needed:

• PhD or equivalent in ML, computational biology, chemistry, or cheminformatics.
• Proven ML application in drug discovery or pharma R&D.
• Experience with graph neural networks (e.g., ChemProp) and transformers for ADMET models.
• Proficiency with PyTorch/PyTorch Lightning and large-scale training workflows.
• Understanding of assay protocols and data harmonization.
• Ability to deliver ML systems at scale, including distributed GPU training, CI/CD, and deployment.
• Experience with MLOps tools like Docker, Kubernetes, cloud platforms.
• Strategic thinking and independent project driving skills.
• 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, ±3 hours CET

If you are a good fit for the Principal Machine Learning Engineer, ADMET | Pharma/BioTech, send your CV, and we will contact you if suitable!