Molecular AI Engineer

deepmirror 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. Since launching in 2023, our platform has been 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 on our intuitive user experience, which makes complex AI simple and accessible to non-technical users. We are now looking for an experienced AI engineer to supercharge our product.    

In this role, you will design and develop cutting-edge algorithms for structure prediction to tackle real-world challenges of AI in drug discovery. This is an outstanding opportunity for someone who wants to be involved from day one of the start-up journey and who wants to put new processes into place to build a powerful platform in a high-performing and collaborative team, based in beautiful Victoria House in the heart of London.  

As part of the product team, you will build core services integrating advanced structure-based algorithms into our platform. Leveraging your expertise in scientific knowledge and software engineering, 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 at 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 ensure they resonate with you.  

We Persevere:   

We believe that great work comes from dedication, continuous learning, and pushing boundaries. We trust you to manage your time in a way that helps you develop your skills while contributing to impactful projects. If you thrive on learning and enjoy challenging yourself, you'll fit right in.  

We Care:

We love what we do and deeply care about our product, customers, and colleagues. We thrive as a collaborative team where everyone is willing to go the extra mile for our customers. We create an environment where asking for support and extending a helping hand are equally valued. Be part of something big and contribute to a culture of support, customer focus, and shared ambition.  

We Own:

Nobody will dictate how you do things, but you will be held accountable for the impact of your work, as we value outcomes over outputs. If you thrive in an environment where you take responsibility, solve problems proactively, and drive your own success, you will do well here.  

At deepmirror, you will challenge yourself, be supported, and be given the freedom to excel. Join a team where striving, caring, and ownership are not just values but a way of life. If this resonates with you, deepmirror could be your next big adventure—read on for the 'boring' bits. 

You Will: 

• Develop advanced Structure-Based Drug Design (SBDD) models integrating deep learning and physics-based approaches 
• Implement scoring functions using docking methods and molecular dynamics (MD) to quantitatively assess molecular poses and binding affinities 
• Collaborate with cross-functional teams—engineers, product developers, and stakeholders—to create user-centered solutions 
• Present research findings in publications, technical documents, conferences, and industry forums.

• Demonstrable expertise in state-of-the-art Structure-Based Drug Design (PhD, Postdoc, or industry experience) 
• Proficiency in deep learning methods for SBDD and experience developing structure prediction algorithms 
• Strong Python programming skills, with experience in scientific computing and deep learning frameworks 
• Hands-on experience with molecular docking, scoring methods, and MD simulations 
• Effective collaboration in interdisciplinary teams to deliver actionable solutions 
• Excellent communication skills for technical and non-technical audiences. 

Nice to Have: 

• Publications in peer-reviewed journals related to structure prediction, protein co-folding, or computational drug discovery 

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

• Base salary: £60k to £90k  
• Competitive Option Plan in line with the stage of the company 
• Frequent social events and off-sites 
• Private medical insurance  
• 1-week remote working per quarter  
• Cycle to Work Scheme 
• Pension Scheme: 5%/5% employer/employee 
• Beautiful stash