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Machine Learning/ ML Engineer Data Scientist

Machine Learning Scientists​/Engineers

Job in Cambridge, Cambridgeshire, CB5, England, UK
Listing for: Computational Chemistry List, Ltd. (CCL)
Contract position
Listed on 2025-12-29
Job specializations:
  • IT/Tech
    Machine Learning/ ML Engineer, Data Scientist
Salary/Wage Range or Industry Benchmark: 125000 - 150000 GBP Yearly GBP 125000.00 150000.00 YEAR
Job Description & How to Apply Below
Position: 25.03.25 Machine Learning Scientists/Engineers
Machine Learning Scientists/Engineers, Cambridge, UK

Astex Pharmaceuticals is a global leader in innovative drug discovery, utilizing its proprietary Fragment-Based Drug Discovery platform to develop new drug candidates, with several progressing in clinical trials. The company focuses on Neurological Disorders and Oncology.

The Role

We are seeking Machine Learning Scientists/Engineers for permanent and 3-year fixed-term contracts to develop innovative machine learning methods for structure-based drug discovery. You will work on advancing computational tools that impact the design and optimization of therapeutics, leveraging extensive proprietary datasets and cutting-edge AI techniques in a collaborative environment.

Responsibilities:

  • Design and implement ML models for structure-based drug design, including protein-ligand interaction modeling and co-folding applications.
  • Develop AI approaches integrating structural and chemical data to enhance virtual screening and molecular design.
  • Utilize proprietary structural datasets to train, benchmark, and validate algorithms.
  • Collaborate with multidisciplinary teams to translate research into production solutions.

    • Profile and

    Skills:

  • PhD or equivalent in a technical discipline (e.g., computer science, chemistry, physics, engineering).
  • Strong background in machine learning, including deep learning and generative models.
  • Experience with ML frameworks such as PyTorch, Tensor Flow, or JAX.
  • Proficiency in Python and C++, with a collaborative mindset.
  • Familiarity with protein structure modeling, co-folding, or related methods; knowledge of organic chemistry is a plus.

    • Why Join Astex

    We offer excellent training, career development, competitive salary, and benefits, including hybrid working options. Located near Cambridge City Centre, with onsite facilities and good transport links, we embrace diversity and are committed to an inclusive workplace.

    More Information

    Visit  for Astex Pharmaceuticals and  for Otsuka Pharmaceuticals.

    Application Process

    Apply online at this link before April 30, 2025. Please note email addresses are modified; change ",+" back to "@" before emailing.

    Learn about the job from the Computational Chemistry List Job Listing at

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