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

Apply Now

Cheminformatician / Computational Chemist

deepmirror
London
7 months ago
Applications closed

deepmirror’s empowers scientists by bridging human brilliance and technology to shorten the time from idea to patient impact. deepmirror’s co-ideation platform generates drug designs that complement the intuition of chemists, enabling R&D teams to step up their progress towards the clinic. After launching in 2023, our platform is used by chemists across the globe and is accelerating the discovery and development of new medicines by suggesting novel and potent drugs to test. We pride ourselves in our intuitive user experience which makes complex AI simple and accessible to non-technical users and are now looking for an experienced computational chemist to supercharge our R&D.

In the role you will research and develop key features to solve real world challenges of AI in drug discovery. This is an outstanding opportunity for someone who wants to be involved from day 1 of the start-up journey and who wants to put new processes into place to build a powerful platform in a high performing & collaborative team, based in the beautiful location of Victoria House in the heart of London. As part of the platform team, you will research cutting edge algorithms and deploy them for our users to deliver a powerful foundation on top of which a great user experience can be built. With a strong focus on Python programming and advanced backend technologies, we encourage you to seize the opportunity to be independent and drive innovation and quality. In the role, you will have substantial growth opportunities, allowing you to shape deepmirror’s technological framework from its inception and learn in an interdisciplinary environment on the interface of physics, chemistry, biology, and machine learning.

Should I apply?

We want to be upfront about what it is like to work at deepmirror and thought hard about the principles that guide our work. Before you apply, let's dive into how our values influence the way we work as a team and make sure that those resonate with you.

Growth: Never stop learning and challenging yourself

At deepmirror we learn and grow every day. It’s like going to university every day but at a much faster pace and more collaborative. If you find fulfilment in learning, in growing as a person, and enjoy being outside of your comfort zone frequently, this is the place, but note that it can be stressful and learning curves can be steep.

Innovation: Building the Future

We want to have impact on the world around us by supercharging the development of new medicines with revolutionary software. We are in a young field and cannot afford the luxury of falling back into old habits and tested procedures to achieve impact in the world. If you like to drive change, build from scratch, and innovate, you’ll thrive, but beware that this can be frustrating. If you prefer things by the book this is not the place for you.

Company-first: A Supportive Team

We cultivate a supportive and collaborative atmosphere that puts the company first. Our only team is the deepmirror team. Working here is not for lone wolves, you can always count on your colleagues.

Ownership: Own Your Outcomes

We empower everyone in the team to own their outcomes. We do not say: "This is what I was told". We do say: "What I tried failed and now I will try something else." At deepmirror you will find the freedom to plot your own path but beware: life at a start-up is ambiguous and self-motivation is a necessity, which can be daunting.

Openness: Honest and Diverse Dialogue

Openness and dialogue are the bedrocks of our organisation. We encourage everyone to voice their perspective, often. This can lead to heated debates, but it always results in better outcomes. We believe in regular, constructive feedback to drive continuous improvement. At deepmirror your voice will be heard but prepare to defend your opinion with evidence and solid arguments.

At deepmirror, you will challenge yourself, be supported, and given the freedom to excel. Join a team where growth, innovation, company-first, ownership, and openness are not just values but a way of life. If this resonates with you, deepmirror could be your next big adventure and read on towards the “boring” bits.

You will: 

  • Build predictive machine learning models for molecules and validate state-of-the-art methods to accelerate discovery and expand our Auto ML pipelines.
  • Curate and prepare datasets for computational drug discovery applications (e.g., training ML models, docking pipelines, data pipelines).
  • Prepare technical papers and presentations.
  • Work closely with the platform and product team and customers to discover, design, and deliver user-centric solutions that meet user needs. 

Requirements

  • Proven experience in computational chemistry or cheminformatics in academic (PhD/postdoc) as well as industry setting in real drug discovery projects
  • Strong understanding of chemistry and computational methods, with practical experience in applying these to real-world problems. 
  • Proficiency in at least one programming language (i.e. Python, C, Java, ...)
  • Excellent soft skills, effective collaboration with interdisciplinary teams and strong communication abilities. 

 

Nice to Have:

  • Experience with structure-based drug design (SBDD) ligand-protein simulations (e.g., docking algorithms, molecular dynamics, and scoring models)
  • Experience training large model types like GNNs and LLMs.

If you meet at least 60% of the requirements or nice-to-have qualifications, we encourage you to apply.

Benefits

  • Base salary 80-90k
  • Competitive Option Plan in line with the stage of the company
  • Frequent Social events and off-sites
  • Flexible working: We come to work 3-5 days a week in our central London offices
  • Private help insurance
  • Cycle to Work Scheme
  • Pension Scheme: 5%/5% employer/employee
  • Beautiful stash

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.

Why the UK Could Be the World’s Next AI Jobs Hub

Artificial Intelligence (AI) has rapidly moved from research labs into boardrooms, classrooms, hospitals, and homes. It is already reshaping economies and transforming industries at a scale comparable to the industrial revolution or the rise of the internet. Around the world, countries are competing fiercely to lead in AI innovation and reap its economic, social, and strategic benefits. The United Kingdom is uniquely positioned in this race. With a rich heritage in computing, world-class universities, forward-thinking government policy, and a growing ecosystem of startups and enterprises, the UK has many of the elements needed to become the world’s next AI hub. Yet competition is intense, particularly from the United States and China. Success will depend on how effectively the UK can scale its strengths, close its gaps, and seize opportunities in the years ahead. This article explores why the UK could be the world’s next global hub for artificial intelligence, what challenges it must overcome, and what this means for businesses, researchers, and job seekers.

The Best Free Tools & Platforms to Practise AI Skills in 2025/26

Artificial Intelligence (AI) is one of the fastest-growing career fields in the UK and worldwide. Whether you are a student exploring AI for the first time, a graduate looking to build your portfolio, or an experienced professional upskilling for career growth, having access to free tools and platforms to practise AI skills can make a huge difference. In this comprehensive guide, we’ll explore the best free resources available in 2025, covering AI coding platforms, datasets, cloud tools, no-code AI platforms, online communities, and learning hubs. These tools allow you to practise everything from machine learning models and natural language processing (NLP) to computer vision, reinforcement learning, and large language model (LLM) fine-tuning—without needing a huge budget. By the end of this article, you’ll have a clear roadmap of where to start practising your AI skills for free, how to build real-world projects, and which platforms can help you land your next AI job.

Top 10 Skills in Artificial Intelligence According to LinkedIn & Indeed Job Postings

Artificial intelligence is no longer a niche field reserved for research labs or tech giants—it has become a cornerstone of business strategy across the UK. From finance and healthcare to manufacturing and retail, employers are rapidly expanding their AI teams and competing for talent. But here’s the challenge: AI is evolving so quickly that the skills in demand today may look different from those of just a few years ago. Whether you’re a graduate looking to enter the industry, a mid-career professional pivoting into AI, or an experienced engineer wanting to stay ahead, it’s essential to know what employers are actually asking for in their job ads. That’s where platforms like LinkedIn and Indeed provide valuable insight. By analysing thousands of job postings across the UK, they reveal the most frequently requested skills and emerging trends. This article distils those findings into the Top 10 AI skills employers are prioritising in 2025—and shows you how to present them effectively on your CV, in interviews, and in your portfolio.