Cheminformatics & Synthesis Prediction
Ginkgo BioworksSynthetic Biology company
Boston, United States$115,000 - $165,000Senior
T. Rowe Price
General Atlantic
Felicis Ventures
Viking Global Investors
Cascade Investment
Illumina
Data & AINew
About the role
TL;DR
Develops and operates cheminformatics workflows for chemical space and reaction prediction.
- •Ginkgo Datapoints is seeking a Senior Engineer I, Cheminformatics to develop and operate cheminformatics workflows for Ginkgo’s makeable chemical space and reaction-prediction capabilities.
- •This role focuses on building and navigating chemical spaces, developing tools for searching and using them, and predicting chemical reaction outcomes.
- •Key Responsibilities Develop and improve reaction-enumeration workflows, including reaction SMARTS templates and building-block curation.
- •Integrate and evaluate approaches for retrosynthesis and reaction-condition prediction.
- •Write maintainable code and contribute to service-oriented systems and data pipelines.
- •Partner with internal chemists to translate scientific questions into computational workflows and interpret results.
- •Design and build Model Context Protocols (MCPs) and agentic frameworks for LLM-based work.
- •Requirements Ph.D. or M.S. with relevant experience in cheminformatics, computational chemistry, or a related field.
- •Strong practical experience in cheminformatics and reaction prediction, including retrosynthesis and reaction-condition prediction.
- •Experience with reaction SMARTS, molecular representations, and chemical structure data.
- •Production experience with RDKit or an equivalent cheminformatics toolkit.
- •Strong Python skills and experience with service-oriented software, Docker, and data pipelines.
Required skills
PythonDockerLinuxGitJiraConfluenceREST APIOpenAPISQL
Nice-to-have skills
KubernetesAWSGoogle CloudAzureTerraformLLMsLangChainOpenAI APIAnthropic APIGemini API
Domain expertise
biotechhealthcare
Benefits & perks
equity, medical coverage, dental coverage, vision coverage, health spending accounts, voluntary benefits, leave of absence policies, 401(k) program with employer contribution, paid holidays, winter shutdown, unlimited Paid Time Off policy
Tech stack
PythonDockerLinuxGitJiraConfluenceREST APIOpenAPISQL