Machine Learning Scientists/Engineers In Cambridge, England, United Kingdom

Astex Pharmaceuticals; Cambridge; Hybrid; GBP 40,000 - 80,000

Job description

Machine Learning Scientists/Engineers In Cambridge, England, United Kingdom

3 days ago Be among the first 25 applicants

Job Type

The Role
We are seeking multiple Permanent and 3-Year Fixed-Term Contracts opportunities 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.

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 would be desirable.

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.

Seniority level

• Entry level

Employment type

• Contract

Job function

• Other
• Industries: Medical and Diagnostic Laboratories