Senior/Lead Cheminformatics Engineer, Location: HybridLondon (2-3 days/week)About Dalton: Dalton is on a mission to makethe world’s drug design more efficient. We are building the AIecosystem for drug design and solving real-world problems thattransform the efficiency of the pharmaceutical industry. Ourmission is to harness cutting-edge technology and turn it intoimpactful products for our clients. Join us on our journey torevolutionize drug discovery and make a difference in the lives ofpatients worldwide.Why Join Dalton? Dalton offers an exciting andcollaborative environment where you can contribute to improving theefficiency of the world’s drug discovery. We value innovation,creativity, and commitment. Join us in our mission to change theworld.Company Description: Dalton is focused on making drug designmore efficient by building the AI ecosystem for drug discovery. Thecompany is based in the London area, United Kingdom, withflexibility for some remote work. Dalton is dedicated to solvingreal-world problems in the pharmaceutical industry and aims torevolutionize drug discovery to improve patient livesworldwide.Role Overview: We are seeking a detail-orientedCheminformatics Engineer who is passionate about developingtransformative technology to enhance the productivity of drugdesign. If you thrive in a fast-paced, multidisciplinaryenvironment and have the skills below, we’d love to hear fromyou.Responsibilities: Build strong relationships with Dalton’spartners and deliver transformational projects.Collaborate withcross-functional teams—including data science, softwareengineering, and product development—to integrate noveltechnologies.Develop cutting-edge AI methods and integrate theminto robust products that improve partner efficiency.Deliverrobust, extensible, and maintainable software solutions,translating high-level business objectives into technicalimplementations.Drive your work with minimal supervision, managingthe full software lifecycle from requirements capture to planningand execution.Stay informed about advancements in relevantscientific research and apply this knowledge to yourwork.Capabilities: Master’s or PhD in Computational Chemistry(e.g., Cheminformatics or Quantum Mechanics) or ArtificialIntelligence applied to scientific problem-solving.Proven trackrecord of impactful contributions to scientific projects.Advancedproficiency in Python or experience with other programminglanguages (e.g., Java, C/C++).Strong communication skills, capableof conveying complex scientific concepts to diverseaudiences.Inclusive team player, open to learning from others andcontributing to a collaborative environment.Desire to rapidlytransition novel chemical AI research into production environmentsto transform drug discovery.Beneficial Skills andExperience:Expertise in one or more of the following areas:Artificial Intelligence: Experience with state-of-the-art methodssuch as graph neural networks, transformers, Gaussian processes,generative modeling, or reinforcement learning. Cheminformatics:Knowledge of chemistry data storage, formats, and synthesisprediction; proficiency with toolkits such as RDKit or OpenEye.Quantum Mechanics: Experience applying QM techniques to synthesisprediction, including using QM toolkits (e.g., PSI4, Orca,Gaussian).Experience with data curation and processing fromheterogeneous sources; familiarity with tools like Apache Spark orHadoop.Proficiency with cloud platforms (AWS, GCP,Azure).Familiarity with major machine learning frameworks (e.g.,scikit-learn, TensorFlow, PyTorch).Open-source contributions orpublications demonstrating expertise in machine learning forscientific applications.Hands-on experience with best softwaredevelopment practices in collaborative environments.
