Cheminformatics Engineer

Dalton; London; On-site; GBP 50,000 - 75,000; Full time

Job summary

A leading company in drug discovery is seeking a Cheminformatics Engineer to enhance technology in pharmaceutical development. You will develop AI methods and collaborate with various teams to transform drug design, making impactful contributions in a fast-paced environment.

Qualifications

• Advanced proficiency in Python or experience with Java, C/C++.
• Knowledge of AI methods and chemistry data storage formats.
• Experience with data curation and processing.

Responsibilities

• Build relationships with partners and lead transformational projects.
• Collaborate across teams to integrate novel technologies.
• Develop AI methods and deliver robust software solutions.

Skills

Python

Artificial Intelligence

Communication

Teamwork

Education

Master’s or PhD in Computational Chemistry or AI

Tools

RDKit

OpenEye

AWS

GCP

Azure

Job description

About Dalton: Dalton is on a mission to make drug design more efficient. We are building the AI ecosystem for drug discovery, solving real-world problems, and transforming the pharmaceutical industry. Our goal is to harness cutting-edge technology and turn it into impactful products for our partners. Join us as we revolutionize drug discovery and improve the lives of patients worldwide.

Why Join Dalton? Dalton offers an exciting, collaborative environment where you can contribute to revolutionizing drug discovery. We value innovation, creativity, and commitment, and we are united by our mission to make a difference globally.

Role Overview: We are seeking a detail-oriented 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.

Requirements

Key Responsibilities:

• Build strong relationships with Dalton’s partners and deliver transformational projects.
• Collaborate with cross-functional teams—including data science, software engineering, and product development to integrate novel technologies.
• Develop cutting-edge AI methods and integrate them into robust products that improve partner efficiency.
• Deliver robust, extensible, and maintainable software solutions, translating high-level business objectives into technical implementations.
• Drive your work with minimal supervision, managing the full software lifecycle from requirements capture to planning and execution.
• Stay informed about advancements in relevant scientific research and apply this knowledge to your work.

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++).
• Strong communication skills, capable of conveying complex scientific concepts to diverse audiences.
• Inclusive team player, open to learning from others and contributing to a collaborative environment.
• Desire to rapidly transition novel chemical AI research into production environments to transform drug discovery.

Beneficial Skills and Experience:

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.

Please note that if you are NOT a passport holder of the country for the vacancy you might need a work permit. Check our Blog for more information.

Bank or payment details should not be provided when applying for a job. Eurojobs.com is not responsible for any external website content. All applications should be made via the 'Apply now' button.

Created on 25/06/2025 by TN United Kingdom