Overview
Cheminformatics Software Developer (Full Stack) – Glasgow | Hybrid/On-site | Full-time
Are you passionate about combining chemistry, software, and AI to push the boundaries of what’s possible in scientific discovery? We’re seeking a Cheminformatics Software Developer (Full Stack) to help develop cutting-edge computational tools that accelerate chemical research and automation.
Responsibilities
* Design and implement cheminformatics algorithms for retrosynthesis, reaction prediction, and chemical space exploration.
* Build scalable full-stack applications (frontend + backend) that integrate these algorithms into research platforms.
* Curate and manage chemical datasets for machine learning applications.
* Develop and deploy AI/ML models to support chemical synthesis planning and prediction.
* Create and maintain robust data infrastructures, including relational and graph databases.
* Collaborate closely with interdisciplinary teams of chemists, engineers, and software developers.
Skillset required
* PhD in Computer Science, Cheminformatics, Data Science, Bioinformatics, or equivalent experience.
* 3+ years’ experience in full-stack software development (React, FastAPI, Django, Node.js, etc.).
* Strong background in cheminformatics concepts and toolkits (RDKit, SMARTS/SMIRKS).
* Proficiency with machine learning frameworks (PyTorch, TensorFlow, scikit-learn).
* Experience deploying applications in cloud environments (AWS, GCP, or Azure).
* Knowledge of modern software practices (CI/CD, Git, testing, code review).
* Excellent communication skills to bridge technical and non-technical teams.
Nice-to-have skills
* Hands-on experience with retrosynthesis tools.
* Familiarity with databases (SQL, NoSQL, graph).
* Experience deploying and scaling AI/ML applications.
* Knowledge of HPC environments and large-scale data pipelines.
* Leadership or mentoring in interdisciplinary teams.
Why join?
This is a chance to be part of a growing team shaping the future of automated chemical discovery. You’ll work at the intersection of chemistry, robotics, software, and AI, turning ground-breaking research into real-world applications.
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