# Cheminformatics Engineer

> Dalton · London, United Kingdom (Hybrid) · Full-time · Posted 2025-01-22

**Workplace:** hybrid

**Department:** Science

## 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.

## Apply

[Apply at Dalton](https://apply.workable.com/dalton/j/FDA13F1DEC/apply)

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