Machine Learning Engineer, Alphafold, Boltz, Chai, Drug Discovery | B2B AI Start-up | 3 Days PW in London | Up to £130,000 Plus Benefits

Company:  Owen Thomas | B Corp™
Location: London
Closing Date: 04/07/2026
Salary: £130,000 per annum
Hours: Full Time
Type: Permanent

Job Description

Machine Learning Engineer, Alphafold, Boltz, Chai, Drug Discovery | B2B AI Start-up | 3 Days PW in London | Up to £130,000 Plus Benefits


I am currently partnering with a high-growth, AI-native drug design startup based in Central London that is fundamentally changing how chemistry teams progress their programs.


While many in the space struggle with fragmented data, this team has built a proprietary platform using curated, non-public experimental data—aggregated from patents and global partners—to predict molecule properties with unprecedented accuracy.


Since their launch in 2023, their technology has already been adopted by hundreds of chemists worldwide, impacting real-world programs in oncology, dementia, and global health.


The Role of Machine Learning Engineer, Alphafold, Boltz, Chai, Drug Discovery | B2B AI Start-up | 3 Days PW in London | Up to £130,000 Plus Benefits


As an ML Engineer, you won’t just be a cog in a machine; you will be a foundational member of the team, designing cutting-edge algorithms to solve the industry’s most complex "real-world" AI challenges.


  • Innovate: Develop advanced models to predict ligand-target interactions.
  • Build: Create production-quality software, integrating structure-based algorithms into a global platform.
  • Collaborate: Work at the intersection of physics, chemistry, biology, and ML to translate scientific needs into product reality.
  • Own: You will have the freedom to drive innovation and shape the company’s technological framework from its inception.

Who You Are

This team values outcomes over outputs and looks for individuals who thrive on autonomy and proactive problem-solving.


  • Deep Expertise: You hold a PhD, Postdoc, or significant industry experience in Molecular AI.
  • Engineering Rigor: Strong skills in scientific computing, deep learning frameworks, and modern version control. Strong experience with either Alphafold, Boltz or Chai.
  • Cloud Fluency: Comfort working with AWS, GCP, or Azure (Infrastructure-as-code).
  • Interdisciplinary: You can communicate complex technical concepts to both scientists and stakeholders.
  • Bonus Points: Any experience with structure prediction, open-source contributions (like RDKit or PyTorch), or deploying models to production is a major plus.


Why Join?

  • Location: Based in a beautiful, historic office in Victoria House, London.
  • Flexibility: Hybrid working
  • Equity: A highly competitive option plan.
  • Culture: A high-performing, supportive environment with frequent social events and off-sites.
  • Benefits: Private medical insurance, Cycle to Work scheme, and a strong pension (5%/5%).


If you are interested in this Machine Learning Engineer, Alphafold, Boltz, Chai, Drug Discovery | B2B AI Start-up | 3 Days PW in London | Up to £130,000 Plus Benefits role, drop over your CV and if we think you are a good match we will give you a call!

Apply Now
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Owen Thomas | B Corp™
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