Cheminformatics Software Developer

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