Cheminformatics Software Developer (Full Stack)

I.T. & Communications
Glasgow
November 10, 2025
Permanent
Urgent

Job Description

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.

Location

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