Be at the heart of actionFly remote-controlled drones into enemy territory to gather vital information.

Apply Now

Senior Computational Chemist

Barrington James
Greater London
10 months ago
Applications closed

Related Jobs

View all jobs

Senior Data Engineer, Data Platform

Senior Data Engineer, Data Platform

Senior Data Engineer, Data Platform

Senior Machine Learning Engineer

Machine Learning Researcher

Senior Research Engineer, Deep Learning for Cancer Genomics

I am supporting an incredibly well backed biotech company specializing in leveraging generative AI and quantum physics algorithms for rapid and innovative drug discovery.

They are currently looking for Senior Computational Chemists to join their team in London


Their mission is to design fast innovative drug candidates for dozens of critical diseases harshening artificial intelligence and machine learning.


This is an Opportunity for aComputational Chemist/to:


  • Utilize computational methods to design and generate small molecules targeting specific therapeutic goals, prioritizing drug-target affinity and selectivity.


  • Communicate hypotheses and work plans concisely, ensuring discussion and refinement, while prioritizing code robustness and reproducibility. Implement and evaluate generative AI algorithms, property prediction models, and molecular dynamics techniques, providing structured feedback to enhance platform performance.


  • Propose innovative strategies to enhance project progression for precision, speed, and scalability. Coordinate with Contract Research Organizations (CROs) to optimize property predictions and synthesis feasibility.


  • Collaborate closely with other members of the team, including Machine Learning engineers, software developers, computational chemists, and theoretical physicists.


  • Mentor junior team members to foster their development as drug discovery researchers.



Your Background:


  • Ph.D in Computational Chemistry, Medicinal Chemistry, Machine Learning or a related field


  • A minimum of 3+ Years industry experience working in a Drug Discovery environment.


  • Hands-on experience using state-of-the-art methods.


  • Extensive knowledge of protein structures, functions, and protein-ligand interactions.


  • Proficiency in computational chemistry packages, including RDKIT, GROMACS, MDAnalysis, etc.


  • Proficiency in small molecule ligand discovery and cheminformatics techniques.


  • Intermediate to advanced proficiency in Python.


Following your application, Jay Robins, a specialist AI recruiter will discuss the opportunity with you in detail.


He will be more than happy to answer any questions relating to the industry and the potential for your career growth.


The conversation can also progress further to discussing other opportunities, which are also available right now or will be imminently becoming available.


This position has been highly popular, and it is likely that it will close prematurely. We recommend applying as soon as possible to avoid disappointment.

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.

Machine Learning Recruitment Trends 2025 (UK): What Job Seekers Need To Know About Today’s Hiring Process

Summary: UK machine learning hiring has shifted from title‑led CV screens to capability‑driven assessments that emphasise shipped ML/LLM features, robust evaluation, observability, safety/governance, cost control and measurable business impact. This guide explains what’s changed, what to expect in interviews & how to prepare—especially for ML engineers, applied scientists, LLM application engineers, ML platform/MLOps engineers and AI product managers. Who this is for: ML engineers, applied ML/LLM engineers, LLM/retrieval engineers, ML platform/MLOps/SRE, data scientists transitioning to production ML, AI product managers & tech‑lead candidates targeting roles in the UK.

Why Machine Learning Careers in the UK Are Becoming More Multidisciplinary

Machine learning (ML) has moved from research labs into mainstream UK businesses. From healthcare diagnostics to fraud detection, autonomous vehicles to recommendation engines, ML underpins critical services and consumer experiences. But the skillset required of today’s machine learning professionals is no longer purely technical. Employers increasingly seek multidisciplinary expertise: not only coding, algorithms & statistics, but also knowledge of law, ethics, psychology, linguistics & design. This article explores why UK machine learning careers are becoming more multidisciplinary, how these fields intersect with ML roles, and what both job-seekers & employers need to understand to succeed in a rapidly changing landscape.

Machine Learning Team Structures Explained: Who Does What in a Modern Machine Learning Department

Machine learning is now central to many advanced data-driven products and services across the UK. Whether you work in finance, healthcare, retail, autonomous vehicles, recommendation systems, robotics, or consumer applications, there’s a need for dedicated machine learning teams that can deliver models into production, maintain them, keep them secure, efficient, fair, and aligned with business objectives. If you’re hiring for or applying to ML roles via MachineLearningJobs.co.uk, this article will help you understand what roles are typically present in a mature machine learning department, how they collaborate through project lifecycles, what skills and qualifications UK employers look for, what the career paths and salaries are, current trends and challenges, and how to build an effective ML team.