Cheminformatics & Python Solutions Developer

Position: Cheminformatics & Python Solutions Developer

Location: Groton, CT

Duration: 6 Month Contract

Rate: $80/hr

Job Description:

seeking a professional who combines strong Python development capability with chemistry domain expertise to support molecular research| chemistry data management| and digital transformation initiatives.

The successful candidate will develop scientific software and automate chemistry workflows while helping curate| standardize| validate| and modify chemical structures and associated molecular data.

Key Responsibilities:

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.

Cheminformatics & Scientific Computing 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.

Stakeholder Collaboration & Delivery 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.

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