Research Engineer (Molecular AI) in London

AI for drug design is limited by sparse and fragmented data. deepmirror is an AI-native drug design platform built around curated, non-public experimental molecule property measurements (potency, binding, ADMET) aggregated from patents, papers, and partners. We help chemistry teams choose the next best experiments to progress programmes faster with fewer dead ends. Since launching in 2023, our platform is now used by hundreds of chemists across the globe to impact real-world drug programmes in oncology, dementia, inflammation, and global health.

We are looking for an experienced research engineer to supercharge our product. In this role, you will design and develop cutting-edge algorithms for drug design 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 and contribute to core services integrating advanced molecular property prediction algorithms into our platform and interface with users to improve their experience. 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.

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.
• 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.

You Will:

• Develop advanced models to predict molecular properties such as ADMET - integrating deep learning and physics-based approaches.
• Build production-quality software, working closely with engineers to ensure robustness, efficiency, and maintainability.
• Collaborate with cross-functional teams, engineers, scientists, and stakeholders, to create user-centered solutions.
• Support users (internal and external) by understanding their workflows, gathering feedback, troubleshooting issues, and helping translate scientific needs into actionable product improvements.
• Present research findings in publications, technical documents, conferences, and industry forums.

Requirements:

• Demonstrable expertise in state-of-the-art molecular AI (PhD, Postdoc, or industry experience).
• Proficiency in deep learning methods for molecules and experience developing structure prediction algorithms.
• Strong software engineering skills in Python, scientific computing, deep learning frameworks, testing, and version control.
• 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.
• Experience deploying ML models into production environments.
• Contributions to open-source scientific software (e.g., RDKit, OpenMM, PyTorch or related tools).

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

Benefits:

• 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.