Ginkgo Bioworks
Cheminformatics & Synthesis Prediction
Boston, Massachusetts · Senior
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About the role
- Internal chemists provide deep synthetic and medicinal chemistry expertise
- your role is to translate their questions into reliable computational workflows and explain what the systems did and why.
- Internal chemists provide deep synthetic and medicinal chemistry expertise; your role is to translate their questions into reliable computational workflows and explain what the systems did and why.
Responsibilities
- Develop and improve reaction-enumeration workflows, including reaction SMARTS templates, functional-group gating, building-block curation, and production runs.
- Build reliable workflows for structure handling, reaction execution, sanitization, identifiers, SDF files, and metadata.
- Reaction prediction and design-make-test workflows
- Consolidate reaction data-including conditions, yields, failed reactions, and provenance-into a shared, machine-readable source that supports future model improvement.
- Partner with internal chemists and cross-functional teams to translate scientific questions into reliable computational workflows and interpret results.
Requirements
- or an M.S. with 6 years, or a B.S. with 9 years, of relevant experience.
- Strong practical experience in cheminformatics and reaction prediction, including experience with retrosynthesis, reaction-condition prediction, synthetic accessibility, or related workflows.
- Experience working with reaction SMARTS, functional-group classification, molecular representations, and chemical structure data.
- Production experience with RDKit or an equivalent cheminformatics toolkit.
- Familiarity with service-oriented software, Docker, environment-based configuration, and data pipelines.
- You know how to distinguish useful signal from an output that is not reliable enough to use, and communicate uncertainty and limitations clearly.
- You are intellectually curious and impatient with the status quo, with a passion for establishing and advancing state-of-the-art computational methods in practical production settings.
Nice to have
- Experience with large makeable or synthesizable chemical spaces, whether commercial or in-house.
- Experience operating a combinatorial library-enumeration pipeline or reaction-prediction workflow in production.
- Experience evaluating predictive models, including uncertainty estimation, calibration, applicability domain, or ranked candidate generation.
- Experience with regiochemistry, stereochemistry, chemical registration systems, ELN/LIMS integration, or chemical data standards.
- Contributions to open-source cheminformatics or experience evaluating third-party chemistry platforms.
- Why Join Ginkgo Datapoints?
- Actual pay within this range will depend on a candidate's skills, expertise, and experience.
- Ginkgo has implemented a return to office policy effective October 1, 2025 with required in office days 5x per week.
Skills
- Senior Engineer I, Cheminformatics & Synthesis Prediction
- Boston, Massachusetts
- About Ginkgo Datapoints
- Ginkgo Datapoints, a business unit within Ginkgo Bioworks, is ushering in the coming era of AI-backed biotechnology breakthroughs.
Compensation
- Receive competitive compensation, generous equity in a public company, and a robust benefits package.
Benefits
- Work with large vendor catalogs while balancing chemical coverage, price, availability, lead time, and data quality.
- Assess models and workflows for calibration, coverage, applicability domain, and practical usefulness
- Help connect predicted reactions and enumerated compounds to experimental design, make-test workflows, and downstream learning.
Company info
- Our mission is to make biology easier to engineer.
This listing is sourced directly from Ginkgo Bioworks's careers page and normalized into a canonical job model.