Principal Machine Learning Engineer, Structural Biology | Pharma/BioTech | Series A - Drug disc[...]

Owen Thomas | Pending B Corp™; United Kingdom; Remote; GBP 125,000 - 150,000; Full time

Job summary

Join a leading organization in drug discovery as a Principal Machine Learning Engineer. In this fully remote role, you will spearhead the technical direction for structural biology models, focusing on deploying transformer-based models for protein structure prediction. Collaborating closely with the leadership team, you will provide mentorship, influence key decisions on model architecture, and develop scalable machine learning systems. This is an exciting opportunity to make a significant impact in the field of biotechnology, where your expertise will drive the advancement of innovative solutions in drug discovery.

Qualifications

• Deep expertise in training transformer-based models for protein structure prediction.
• Strong understanding of drug discovery workflows and machine learning applications.

Responsibilities

• Define approaches for data preprocessing and benchmarking for training tasks.
• Lead technical strategy for machine learning applications in structural biology.

Skills

Machine Learning

Transformer Models

Protein Structure Prediction

Data Preprocessing

MLOps

CI/CD Pipelines

Education

PhD in Machine Learning or Computational Biology

Equivalent Experience

Tools

PyTorch

Docker

Kubernetes

Cloud Platforms

Job description

Principal Machine Learning Engineer, Structural Biology | Pharma/BioTech | Series A - Drug discovery B2B Platform | Fully Remote, EU | £ 850-1200pd, Outside IR35 | 6-12 months Contract Length

Principal Machine Learning Engineer, Structural Biology | Pharma/BioTech | Series A - Drug discovery B2B Platform | Fully Remote, EU | £ 850-1200pd, Outside IR35 | 6-12 months Contract Length

1 day ago Be among the first 25 applicants

Get AI-powered advice on this job and more exclusive features.

Direct message the job poster from Owen Thomas | Pending B Corp

Co-Founder @ Owen Thomas - Pending B Corp | Scaling teams for all things Data, Cloud & AI/ML

Principal Machine Learning Engineer, Structural Biology | Pharma/BioTech | Series A - Drug discovery B2B Platform | Fully Remote, EU | £ 850-1200pd, Outside IR35 | 6-12 months Contract Length

The Client:

A leading organization in the drug discovery field is currently looking for a Principal ML Engineer to spearhead the technical direction for their structural biology models. This hands-on, high-impact role offers the opportunity to advance the application of foundational models to complex structural biology challenges.

The successful candidate will work closely with the leadership team, serving as the technical authority on machine learning modeling, architecture, and experimentation in this domain. While this role does not involve people management, the candidate will be expected to provide mentorship and guidance to engineers and researchers on technical content.

The ideal candidate will have deep expertise in training and deploying transformer-based models for protein structure prediction and related tasks. Additionally, they should have a strong understanding of how these models are applied within drug discovery workflows. A proven track record in setting strategy, solving complex technical problems, and delivering impactful ML systems is essential.

Principal Machine Learning Engineer, Structural Biology | Pharma/BioTech expertise | Series A - Drug discovery B2B Platform | Fully Remote, EU || £ 850 - 1200pd, Outside IR35 | 6 - 12 months Contract Length

• Define approaches for data preprocessing, selection, and benchmarking for new training tasks involving protein structures, complexes, and multimodal biological datasets.
• Design and implement extensions to models tailored to specific challenges, such as predicting protein complex interactions and binding affinities, including data processing, benchmarking, and evaluation pipelines.
• Provide mentorship and guidance to team members, assisting with the planning and execution of complex projects related to structural biology modeling.
• Lead the technical strategy for machine learning applications in structural biology, focusing on adapting and expanding foundational models such as those for protein folding and related tasks.
• Influence key decisions regarding model architecture, data infrastructure, and model deployment strategies.
• Work collaboratively with other teams to ensure models address practical needs in scientific discovery.
• Contribute to scientific publications or open-source projects where applicable.
• Develop and maintain scalable, production-ready machine learning systems, including pipelines for training, inference, and deployment.

Expected Milestones

• By month 3: Take charge of a structural biology modeling project. Create a strategy and experiment plan for adapting foundational models to a key high-value application.
• By month 6: Deliver the initial functional model extension (e.g., binding affinity prediction head), complete with a clear benchmarking framework and a replicable pipeline.
• By month 12: Oversee multiple ML initiatives in structural biology, showcasing significant improvements in model accuracy and practical impact. Provide mentorship to peers and set the strategic direction for the area.nd practical impact. Provide mentorship to peers and set the strategic direction for the area.

Principal Machine Learning Engineer, Structural Biology | Pharma/BioTech expertise | Series A - Drug discovery B2B Platform | Fully Remote, EU || Fully Remote, EU | £ 850 - 1200pd, Outside IR35 | 6 - 12 months Contract Length

• You hold a PhD (or equivalent experience) in machine learning, computational biology, or structural biology, with a proven track record of applying machine learning to real-world protein structure or drug discovery challenges.
• You have extensive experience in building and training transformer-based models (e.g., protein folding models) using frameworks like PyTorch, PyTorch Lightning, or similar.
• You understand the data challenges in structural biology and are capable of designing scalable preprocessing, training, and evaluation workflows.
• You have experience delivering machine learning systems at scale, including CI/CD pipelines, model versioning, and distributed GPU-based training.
• You are proficient with modern MLOps tools and infrastructure, such as Docker, Kubernetes, cloud platforms, and orchestration tools.
• You are adept at navigating complex technical environments and can deconstruct and execute ambitious modeling initiatives.
• You understand how structural biology models contribute to the drug discovery process and can align your work with real-world applications.

If you think you are a good match for the Principal Machine Learning Engineer, ADMET | Pharma/BioTech expertise, ping us over your CV and we will give you a call if we think you are a good match!

Seniority level

• Seniority level

  Mid-Senior level

Employment type

• Employment type

  Contract

Job function

• Job function

  Engineering and Information Technology

• Industries

  Biotechnology Research, Medical Practices, and Pharmaceutical Manufacturing

Referrals increase your chances of interviewing at Owen Thomas | Pending B Corp by 2x

Sign in to set job alerts for “Machine Learning Engineer” roles.

London, England, United Kingdom 1 week ago

London, England, United Kingdom 1 month ago

London, England, United Kingdom 8 months ago

London, England, United Kingdom 2 weeks ago

London, England, United Kingdom 1 month ago

London, England, United Kingdom 1 week ago

London, England, United Kingdom 2 days ago

London, England, United Kingdom 2 weeks ago

London, England, United Kingdom 10 months ago

London, England, United Kingdom 4 weeks ago

London, England, United Kingdom 4 weeks ago

London, England, United Kingdom 10 months ago

Birmingham, England, United Kingdom £50,000.00-£90,000.00 4 hours ago

Birmingham, England, United Kingdom 2 weeks ago

Manchester, England, United Kingdom 1 week ago

Machine Learning and AI Apprenticeship Coach

London, England, United Kingdom 10 months ago

London, England, United Kingdom 6 days ago

Computational Biology & Machine Learning Scientist

Bristol, England, United Kingdom 2 weeks ago

We’re unlocking community knowledge in a new way. Experts add insights directly into each article, started with the help of AI.