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Senior Cheminformatics Python Engineer Chemistry Data Engineer
Job Location:
Job Location:
New London County, CT - USA
Monthly Salary:
Not provided by the employer
Monthly Salary:
Posted:
16 September 2026 (3 days ago)
Posted:
Application Deadline:
14 December 2026
Application Deadline:
Vacancies:
1 Vacancy
Vacancies:
Job Summary
Role Descriptions: Key Responsibilities
Python Development & Automation:
- Chemistry Data Curation & Structure Management
- Curate validate and maintain chemical structure data used across research platforms and scientific workflows.
- Perform structure standardization and normalization including salt or solvent handling valence checks charge normalization tautomer treatment stereochemistry review and duplicate identification.
- Support compound registration structure correction structure modification and molecular metadata management.
- Investigate and resolve data-quality issues in collaboration with medicinal chemists computational scientists and informatics teams.
- Define and apply repeatable quality-control rules for chemistry datasets used in analytics and AI/ML initiatives.
Python Development & Automation:
- Design and develop Python-based applications APIs libraries and automated workflows for chemistry and scientific data processes.
- Build scalable pipelines for structure ingestion transformation validation standardization and export.
- Integrate chemistry platforms scientific databases and enterprise or cloud services using APIs and data-integration patterns.
- Write modular tested maintainable code and contribute to code reviews documentation release practices and production support.
- Create scientist-friendly utilities notebooks or lightweight interfaces that reduce manual curation effort and improve traceability.
- Use cheminformatics toolkits such as RDKit ChemAxon or equivalent technologies for molecular analysis and structure processing.
- Develop capabilities for substructure and similarity search scaffold analysis descriptor calculation compound clustering and molecular property computation.
- Apply chemistry knowledge to ensure software outputs are scientifically meaningful and fit for use.
- Contribute to data preparation and feature-generation workflows supporting predictive modeling molecular design and AI-enabled research.
- Partner with chemists informaticians data scientists product owners and software engineers to translate scientific needs into technical solutions.
- Participate in solution design estimation development testing validation deployment and operational support.
- Communicate technical decisions chemistry-data risks and delivery status clearly to scientific and technology stakeholders.
- Promote reusable engineering patterns chemistry-data standards and continuous improvement.
- Masters degree or PhD in Chemistry Cheminformatics Computational Chemistry Pharmaceutical Sciences Computer Science with substantial chemistry experience or a related discipline. Equivalent relevant industry experience may be considered.
- Strong professional experience developing production-quality solutions in Python.
- Solid grounding in organic chemistry and chemical structure representation including stereochemistry salts tautomers charges and structure-quality concepts.
- Hands-on experience with chemistry curation compound registration structure standardization or molecular data management.
- Experience with Python scientific and data libraries such as pandas and Jupyter plus SQL and REST APIs.
- Experience with at least one cheminformatics toolkit or chemistry platform such as RDKit ChemAxon BIOVIA Pipeline Pilot Dotmatics Signals or an equivalent platform.
- Ability to work across scientific and technical teams and explain complex concepts to varied audiences.
- Experience supporting pharmaceutical or life-sciences R&D particularly small-molecule discovery or chemical synthesis workflows.
- Familiarity with compound registration systems ELN platforms chemical inventory tools or scientific data platforms.
- Knowledge of cloud platforms containers CI/CD automated testing and secure software-development practices.
- Exposure to AI/ML applications involving molecular data property prediction molecule generation or synthesis planning.
- Understanding of scientific data governance auditability validation and regulated-environment expectations.
- Python engineering and scientific software development
- Chemistry curation and molecular data quality
- Cheminformatics and structure-processing workflows
- Analytical problem-solving across chemistry data and code
- Collaboration with scientific and technology stakeholders
- Delivery of reliable documented and maintainable solutions
- Higher quality consistency and traceability of curated chemistry data.
- Reduced manual effort through dependable Python automation and self-service tools.
- Scalable maintainable chemistry workflows that meet scientist and business needs.
- Effective connection between chemistry subject-matter experts and engineering teams.
- Reusable data and software foundations that support analytics and AI-enabled molecular research.
