Machine Learning Scientist (with Structure-based Experience)

Astex Pharmaceuticals
Cambridge
3 weeks ago
Create job alert

Machine Learning Scientist (with Structure-based Experience)

Join to apply for the Machine Learning Scientist (with Structure-based Experience) role at Astex Pharmaceuticals

Machine Learning Scientist (with Structure-based Experience)

Join to apply for the Machine Learning Scientist (with Structure-based Experience) role at Astex Pharmaceuticals

Astex Pharmaceuticals is a world leader in innovative drug discovery and development. The company has successfully applied its proprietary Fragment-Based Drug Discovery platform to generate multiple new drug candidates that are progressing in clinical development. Successful collaborations have led to three launched oncology drugs (Kisqali partnered with Novartis, Balversapartnered with Janssen and Truqap partnered with AstraZeneca). Astex continues to grow and focuses on Neurological Disorders and Oncology.

The Role

We are seeking someone to drive the development of innovative machine learning methods for structure-based drug discovery. In this role, you will contribute to advancing computational tools that impact the design and optimisation of novel therapeutics.

You will work with one of the largest and most comprehensive internal structural datasets in the industry, our extensive collection of proprietary protein-ligand complexes—developing and applying cutting-edge AI techniques, including co-folding, to unlock new insights and capabilities in molecular modelling and virtual screening. This is a collaborative opportunity to push the boundaries of ML within drug discovery, working alongside multidisciplinary teams across computational chemistry, structural biology, and data science.

Whilst the job advert specifies this role is a fixed-term contract, we are open to exploring a permanent position for the right candidate

Responsibilities:

  • Design and implement ML models for structure-based design, including protein-ligand interaction modelling and co-folding applications.
  • Develop and extend AI approaches that integrate structural and chemical data to improve virtual screening and molecular design workflows.
  • Leverage Astex’s world-leading proprietary structural datasets to train, benchmark, and validate new algorithms.
  • Collaborate closely with cross-functional teams to ensure effective translation of research into production-ready solutions.

Profile and Skills:

  • PhD or equivalent experience in a technical discipline (e.g., computer science, chemistry, physics, engineering).
  • Strong background in machine learning, including experience with deep learning and/or generative models.
  • Proficiency with modern ML frameworks (e.g., PyTorch, TensorFlow, or JAX).
  • Strong coding skills (e.g., Python, C++) and a collaborative mindset.
  • Familiarity with protein structure modelling, co-folding, or related structure-based methods, along with a working knowledge of organic chemistry.

Why Astex

We offer excellent training and career development opportunities as well as a highly competitive salary and benefits package including hybrid working options to promote a flexible and inclusive work environment.

The company is situated 2.5 miles from Cambridge City centre. Cambridge Science Park has onsite sports facilities and excellent transport links to London.

At Astex we embrace diversity and equality of opportunity. We are committed to building an inclusive and diverse Company representing all backgrounds, harnessing industry-leading scientific innovation and behaviours.

More Information

For information on Astex Pharmaceuticals please visit:www.astx.com

For information on Otsuka Pharmaceuticals please visit:www.otsuka.co.jp

Seniority level

  • Seniority levelMid-Senior level

Employment type

  • Employment typeFull-time

Referrals increase your chances of interviewing at Astex Pharmaceuticals by 2x

Get notified about new Machine Learning Researcher jobs in Cambridge, England, United Kingdom.

Cambridge, England, United Kingdom 2 weeks ago

AI, Machine Learning and Cheminformatics Scientist (FTC - 12 months)

Cambridge, England, United Kingdom 1 week ago

Cambridge, England, United Kingdom 1 month ago

Cambridge, England, United Kingdom 1 month ago

Cambridge, England, United Kingdom 1 month ago

Cambridge, England, United Kingdom 2 weeks ago

Cambridge, England, United Kingdom 2 weeks ago

Cambridge, England, United Kingdom 9 months ago

Res Assoc in Probabilistic Machine Learning (Fixed Term)

Cambridge, England, United Kingdom 1 day ago

Researcher/Senior Researcher in Computer Vision and Machine Learning

Cambridge, England, United Kingdom 2 weeks ago

Cambridge, England, United Kingdom 5 months ago

Cambridge, England, United Kingdom 1 month ago

Cambridge, England, United Kingdom 1 month ago

Junior Machine Learning Research Engineer

Cambridge, England, United Kingdom 1 day ago

Junior Machine Learning Research Engineer - 5783

Cambridge, England, United Kingdom 2 days ago

Cambridge, England, United Kingdom 5 days ago

Cambridge, England, United Kingdom 4 days ago

Cambridge, England, United Kingdom 2 weeks ago

Cambridge, England, United Kingdom 1 day ago

Cambridge, England, United Kingdom 2 weeks ago

Babraham, England, United Kingdom 1 day ago

Machine Learning Research Engineer - 5490

Cambridge, England, United Kingdom 2 days ago

Cambridgeshire, England, United Kingdom 3 weeks ago

Cambridge, England, United Kingdom 1 day ago

Cambridge, England, United Kingdom 2 weeks ago

Cambridge, England, United Kingdom 3 days ago

Babraham, England, United Kingdom 1 day ago

Computer Vision and Machine Learning Researcher - PhD / Publications / PyTorch

Cambridgeshire, England, United Kingdom 4 days ago

Cambridgeshire, England, United Kingdom 3 weeks ago

Cambridge, England, United Kingdom 1 day ago

Senior Software Engineer - Machine Learning Tools

Cambridge, England, United Kingdom 2 weeks ago

Principal Software Engineer - Machine Learning

Cambridge, England, United Kingdom 1 week ago

Senior Principal Scientist, Biologics AI Innovation

Cambridge, England, United Kingdom 1 week ago

Senior Machine Learning Research Engineer

Cambridge, England, United Kingdom 2 days ago

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


#J-18808-Ljbffr

Related Jobs

View all jobs

Machine Learning Scientist

Machine Learning Scientist

Machine Learning Scientist - Cars

Machine Learning Scientist III

Machine Learning Scientist (with Structure-based Experience)

Machine Learning Specialist

Subscribe to Future Tech Insights for the latest jobs & insights, direct to your inbox.

By subscribing, you agree to our privacy policy and terms of service.

Industry Insights

Discover insightful articles, industry insights, expert tips, and curated resources.

How Many AI Tools Do You Need to Know to Get an AI Job?

If you are job hunting in AI right now it can feel like you are drowning in tools. Every week there is a new framework, a new “must-learn” platform or a new productivity app that everyone on LinkedIn seems to be using. The result is predictable: job seekers panic-learn a long list of tools without actually getting better at delivering outcomes. Here is the truth most hiring managers will quietly agree with. They do not hire you because you know 27 tools. They hire you because you can solve a problem, communicate trade-offs, ship something reliable and improve it with feedback. Tools matter, but only in service of outcomes. So how many AI tools do you actually need to know? For most AI job seekers: fewer than you think. You need a tight core toolkit plus a role-specific layer. Everything else is optional. This guide breaks it down clearly, gives you a simple framework to choose what to learn and shows you how to present your toolset on your CV, portfolio and interviews.

What Hiring Managers Look for First in AI Job Applications (UK Guide)

Hiring managers do not start by reading your CV line-by-line. They scan for signals. In AI roles especially, they are looking for proof that you can ship, learn fast, communicate clearly & work safely with data and systems. The best applications make those signals obvious in the first 10–20 seconds. This guide breaks down what hiring managers typically look for first in AI applications in the UK market, how to present it on your CV, LinkedIn & portfolio, and the most common reasons strong candidates get overlooked. Use it as a checklist to tighten your application before you click apply.

The Skills Gap in AI Jobs: What Universities Aren’t Teaching

Artificial intelligence is no longer a future concept. It is already reshaping how businesses operate, how decisions are made, and how entire industries compete. From finance and healthcare to retail, manufacturing, defence, and climate science, AI is embedded in critical systems across the UK economy. Yet despite unprecedented demand for AI talent, employers continue to report severe recruitment challenges. Vacancies remain open for months. Salaries rise year on year. Candidates with impressive academic credentials often fail technical interviews. At the heart of this disconnect lies a growing and uncomfortable truth: Universities are not fully preparing graduates for real-world AI jobs. This article explores the AI skills gap in depth—what is missing from many university programmes, why the gap persists, what employers actually want, and how jobseekers can bridge the divide to build a successful career in artificial intelligence.