Lead Computational Chemist / Cheminformatics Engineer in City of London

Lead Computational Chemist / Cheminformatics Engineer

We are seeking a detail-oriented Lead Computational Chemist / Cheminformatics Engineer who is passionate about developing transformative technology to enhance the productivity of drug design. If you thrive in a fast-paced, multidisciplinary environment and have the skills below, we\’d love to hear from you.

Capabilities:

• Master\’s or PhD in Computational Chemistry (e.g., Cheminformatics or Quantum Mechanics) or Artificial Intelligence applied to scientific problem-solving.
• Proven track record of impactful contributions to scientific projects.
• Advanced proficiency in Python or experience with other programming languages (e.g., Java, C/C++).
• Desire to rapidly transition novel chemical AI research into production environments to transform drug discovery.

Expertise in one or more of the following areas:

• Artificial Intelligence: Experience with state-of-the-art methods such as graph neural networks, transformers, Gaussian processes, generative modeling, or reinforcement learning.
• Cheminformatics: Knowledge of chemistry data storage, formats, and synthesis prediction; proficiency with toolkits such as RDKit or OpenEye.
• Quantum Mechanics: Experience applying QM techniques to synthesis prediction, including using QM toolkits (e.g., PSI4, Orca, Gaussian).
• Experience with data curation and processing from heterogeneous sources; familiarity with tools like Apache Spark or Hadoop.
• Proficiency with cloud platforms (AWS, GCP, Azure).
• Familiarity with major machine learning frameworks (e.g., scikit-learn, TensorFlow, PyTorch).
• Open-source contributions or publications demonstrating expertise in machine learning for scientific applications.
• Hands-on experience with best software development practices in collaborative environments.

If interested, please apply now.