CADD Software Developer

​Computer‑Aided Drug Design (CADD) Software Developer

Onsite or Hybrid - Scotland

If you’re excited by solving hard scientific problems with elegant software, this is an opportunity to work on technology that genuinely changes how molecules are discovered. We’re working closely with a client who creates tools that bring together computational chemistry, AI, and automation — and putting them directly into the hands of scientists.

We’re looking for a Senior CADD Software Developer to help shape a next‑generation platform used by scientists to design, analyse, and optimise novel molecules — and then make them real. You’ll work closely with computational chemists, medicinal chemists, software engineers, and AI researchers, translating complex scientific ideas into powerful, scalable, and intuitive tools.

In this role, you’ll take ownership of features end‑to‑end — from algorithm design through to production deployment. You’ll build and maintain CADD capabilities such as molecular modelling, virtual screening, molecular dynamics, and predictive QSAR/ML workflows, while contributing to API‑first backend services and performance‑critical code using C++, CUDA, and GPU acceleration.

You’ll also collaborate on optimising workflows for cloud and HPC environments, champion best practices in scientific software development, and mentor others across the team.

We’re looking for someone with a strong background in computational chemistry or scientific software engineering, with deep Python expertise and experience building production‑grade tools in a drug discovery or life sciences setting. You’ll be comfortable working with cheminformatics toolkits (such as RDKit), developing high‑performance code in C/C++, and designing scalable backend services. Experience with cloud platforms, containerisation, and CI/CD is important, as is a genuine interest in building user‑focused scientific software.

 If you’re excited by solving hard problems at the intersection of chemistry, computation, and AI — and want your work to directly impact how new molecules are discovered — we’d love to hear from you