Forward-Deployed Cheminformatician in Ireland, Scotland at Jobgether

This position is listed on behalf of a partner company, who manages all applications and next steps. Our partner is looking for a Forward-Deployed Cheminformatician based in Ireland.

This is a unique opportunity to work at the intersection of cheminformatics, drug discovery, data engineering, and applied AI. The role focuses on transforming complex and heterogeneous pharmaceutical data into scalable, high-quality datasets that power next-generation scientific models and research applications. Working closely with researchers, medicinal chemists, biologists, and engineering teams, you will help establish robust data preparation standards that directly influence model performance and scientific outcomes. This position offers a highly collaborative, remote-first environment where technical expertise, scientific rigor, and innovation come together to accelerate pharmaceutical R&D. You will play a critical role in bridging scientific data challenges with practical, production-ready solutions while contributing to cutting-edge AI initiatives in the life sciences sector.

• Define, develop, and maintain standardized binding-data preparation protocols, including data schemas, assay metadata structures, value normalization, duplicate handling, and quality control processes.
• Build and improve modular tooling, validation frameworks, and reusable pipelines that support diverse pharmaceutical data sources and ensure consistency across projects.
• Collaborate directly with pharmaceutical researchers, medicinal chemists, and biologists to interpret complex assay data, validate data quality, and facilitate successful data onboarding.
• Maintain and optimize small-molecule processing workflows, including molecular standardization, stereochemistry preservation, tautomer handling, ionization management, and filtering methodologies.
• Curate and harmonize large-scale public binding-data resources to support model development, benchmarking, and scientific research initiatives.
• Partner closely with engineering and machine learning teams to ensure data pipelines remain scalable, maintainable, and aligned with evolving product and research requirements.
• Drive documentation, process standardization, and knowledge sharing to transform manual data preparation efforts into repeatable and reliable workflows.

Requirements

• Bachelor's, Master's, PhD, or equivalent qualification in Cheminformatics, Computational Chemistry, Pharmaceutical Sciences, or a related scientific discipline.
• At least 3 years of experience preparing and curating biological assay data within drug discovery, pharmaceutical research, or related scientific environments.
• Strong proficiency in Python and RDKit, including expertise in molecular representation, SMILES normalization, stereochemistry, scaffold extraction, tautomer handling, and related cheminformatics techniques.
• Hands-on experience working with quantitative binding assay data, including KD, Ki, IC50, pIC50, high-throughput screening data, and associated metadata interpretation.
• Proven ability to develop maintainable, well-tested code, implement validation frameworks, and work with modern software engineering practices and version control systems.
• Strong communication and stakeholder engagement skills, with the ability to collaborate effectively with scientific and technical audiences.
• Demonstrated ability to work independently, manage ambiguity, and transform complex data challenges into structured, repeatable processes.
• Familiarity with public scientific databases, federated data environments, AI-assisted workflows, or computational drug discovery platforms is considered an advantage.

Benefits

• Competitive compensation package.
• Early-stage virtual share options.
• Fully remote work environment with location flexibility.
• Wellbeing allowance and mental health support resources.
• Home office budget and co-working stipend.
• Dedicated learning and professional development budget.
• Generous paid holiday allowance.
• Regular in-person team gatherings and collaborative office events across Europe.
• Opportunity to work alongside experienced professionals from leading scientific, technology, and research organizations.
• Exposure to innovative AI, pharmaceutical research, and drug discovery initiatives with significant industry impact.