Senior Cheminformatics Python Engineer / Chemistry Data Engineer

Purple Drive

Groton, CT

Role Descriptions: 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.
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.

Required Qualifications

Master's 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.

Preferred Qualifications

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.

Core Competencies

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

Measures of Success

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.

Apply

Vacancy posted 23 days ago

Similar jobs that could be interesting for youBased on the Senior Cheminformatics Python Engineer / Chemistry Data Engineer in Groton, CT vacancy

Senior Scientist - Pharmaceutical Materials Scientist
...to project timelines.Collaborate with colleagues in Medicinal Chemistry, Formulation and Biopharmaceutics to define and implement screening... ..., thermogravimetric analysis, spectroscopy, etc.). Strong data analysis and interpretation skills.Experience and understanding...
Senior
Full time
Contract work
Weekend work
Eurofins
Groton, CT
10 hours ago
Senior Solid State NMR Scientist
...20 years.Job DescriptionThe Senior Solid State NMR Scientist provides... ...in solid-state NMR (ssNMR) data collection and interpretation... ....D. degree in chemistry or equivalent field with expertise... ...science, chemistry, chemical engineering, or related field with 2-3+ years...
Senior
Full time
Contract work
Monday to Friday
Eurofins
Groton, CT
4 days ago
Medical Analytics, Care Gaps & Customer Segmentation Team, Senior Data Scientist
$149.2k - $248.6k
...Collaborate with Care Gaps & Segmentation Team Leader to communicate generated insights Provide mentorship & coaching to Data Scientists & Data Engineering Leverage cross-team collaboration and asset-specific experience to develop and disseminate analytical best‑...
Senior
Work experience placement
Remote work
Relocation package
Flexible hours
Pfizer
Groton, CT
17 hours ago
Senior Software Engineer, Cloud Systems
...Senior Software Engineer ThayerMahan is seeking a senior software engineer to join our team. In this role, you will primarily focus... ...other engineers. Preferred skills: Git Python Bash Linux Data visualization (e.g. matplotlib, plotly) Docker...
Senior
Temporary work
ThayerMahan Inc
Groton, CT
4 days ago
Senior Scientist Mass Spectrometrist (United States - Connecticut - Groton)
$93.6k - $156k
...externally. Qualifications Must-Have B.S./M.S. in chemistry with 9 to 11 years of experience in mass spectrometry focused... ...understanding of organic chemistry. ~ Familiarity with MS data analysis software for small molecules and peptides, such as Thermo...
Senior
Permanent employment
Full time
H1b
Local area
Worldwide
Visa sponsorship
Work visa
Relocation package
Pfizer
Groton, CT
4 days ago
Senior Software Engineer, Embedded Systems
...Senior Software Engineer ThayerMahan is seeking a senior software engineer to join our team. In this... ...and configuration management, and data flow management. Create and maintain... ...skills: Git / GitLab CI/CD Python Bash Linux Data visualization...
Senior
Temporary work
2 days per week
3 days per week
ThayerMahan Inc
Groton, CT
4 days ago
Remote Senior Mechanical Systems Engineer
$130k - $160k
...role for someone who wants to do serious engineering in a startup environment: move quickly,... ...field. About the Role We are looking for a Senior Mechanical Systems Engineerwho... ...or model-based approaches Ability to use Python or similar tools for engineering analysis...
Senior
Remote work
Flexible hours
GrabJobs
Groton, CT
17 hours ago
Information Technology, Software Engineering, & Computer Science - 2027 Summer Internship
...Position Information Technology, Software Engineering, & Computer Science - 2027 Summer... ...engineering activities with the support of our senior staff. This program grants our trainees the... ...the inner workings of Electric Boat data and business systems(Networks/Servers/Desktop...
Full time
Traineeship
Summer work
Internship
Summer internship
General Dynamics
Groton, CT
17 hours ago
Senior Systems Engineer (IV&V)
$100k - $115k
...government contractor supporting national priority programs through our strategic solutions in the areas of Information Technology, Engineering & Analysis, Test & Evaluation, and Training.ResponsibilitiesPerform all IV&V processes and procedures, including the review and...
Senior
For contractors
AMERICAN SYSTEMS
Groton, CT
17 hours ago
Tax Senior/Specialist / Senior Specialist
...Tax Senior/Specialist / Senior Specialist As a member of the General Dynamics Marine Segment Tax Team, based at Electric Boat Corporation in Groton, Connecticut, the Tax Specialist, Sr. will partner with key business counterparts and other members of the General Dynamics...
Senior
Local area
Weekend work
General Dynamics
Groton, CT
2 days ago
Senior Middleware Administrator
What success looks like in this role: Position SummaryThe Senior Middleware Administrator is responsible for the administration, configuration... ...operational support activities.· Develop and maintain Shell, Python, and JACL scripts to automate recurring administrative tasks.·...
Senior
Full time
Unisys
Norwich, CT
17 hours ago
Supplier Quality Engineer - Sr/Spec/Principal
...Responsibilities for this Position Supplier Quality Engineer - Sr/Spec/Principal US-CT-Groton Job ID: 2026-18941 Type: Full... ...procurement, including but not limited to: Review of Ordering Data, Supplier Capability Assessments, Suppliers Quality Management System...
Senior
Full time
Flexible hours
Electric Boat
Groton, CT
4 days ago
Physical Therapist Senior Living
Overview #LI-RT1 This role is based in an Assisted Living, Independent Living, and Memory Care setting. This role is open to Full-time Summary: Provides physical therapy and related services for patients while maintaining positive levels of interaction...
Senior
Full time
Work at office
Shift work
Reliant Rehabilitation
Waterford, CT
1 day ago
Senior Submarine Program Manager
$155k - $180k
...commercial and technical backgrounds, Sonalysts has a diverse and capable workforce. From software development, to operations analysis, engineering, wargaming, targeted knowledge elicitation, or large group facilitation - Sonalysts is capable of meeting any challenge. By...
Senior
Full time
For contractors
Local area
Relocation package
Flexible hours
Sonalysts
Waterford, CT
2 days ago
Senior Scientist in particulate materials characterization & digital sciences (United States - Connecticut - Groton)
$93.6k - $156k
...DPDS) organization is seeking a Senior Scientist in particulate... ...we generate key experimental data of high quality and scientific... ...scientists, process modelers, process engineers, and data scientists will be... ...data analysis skills using Python, R, MATLAB, or similar tools....
Senior
Full time
H1b
Local area
Worldwide
Visa sponsorship
Work visa
Relocation package
Pfizer
Groton, CT
4 days ago
Senior Project Manager
$95 - $105 per hour
...Senior Project ManagerAre you interested in being part of an innovative team that supports Westinghouse's mission to provide clean... ...risk and develop/implement mitigation strategies associated with engineering design, vendor activities, and craft installation activities....
Senior
Hourly pay
Contract work
Westinghouse Electric Company
Waterford, CT
3 days ago
Senior Relay Technician - Utility & High-Voltage Protection - Union
$63.73 - $84.13 per hour
...Senior Relay Technician - Utility & High-Voltage Protection - Union Brand: Asplundh Electrical... ..., independent electrical testing and engineering organization , Asplundh Electrical... ...safety across the utility, renewable energy, data center, and industrial sectors . Candidates...
Senior
Hourly pay
Apprenticeship
Immediate start
Asplundh Electrical Testing, LLC
New London, CT
1 day ago
Senior Relay Technician - Utility & High-Voltage Protection - Union
...not a priority—it is our foundation. The Senior Relay Technician plays a critical role... ...accredited, independent electrical testing and engineering organization , Asplundh Electrical... ...safety across the utility, renewable energy, data center, and industrial sectors ....
Senior
Apprenticeship
Local area
Immediate start
Asplundh
New London, CT
3 days ago
Senior Mechanic
...direction of the Chief Mechanic, the incumbent is responsible for the maintenance and repair of vehicles and equipment from small gas engines such as snow blowers to diesel trucks including heavy duty construction machinery such as bulldozers, pay loaders, fork lifts, and...
Senior
Mashantucket Pequot
Mashantucket, CT
3 days ago
Occupational Therapist Senior Living
Occupational Therapist *This role is based in an Assisted Living, Independent Living, or Memory Care setting. We are seeking a flexible PRN (for day shift) Occupational Therapist. Summary: Provide occupational therapy and related services for patients while maintaining...
Senior
Relief
Work at office
Flexible hours
Shift work
Day shift
Reliant Rehabilitation
Waterford, CT
7 hours ago
Senior SQL Server DBA
...We are seeking an experienced Senior SQL Server Database Administrator (DBA) to manage and support enterprise Microsoft SQL Server environments. This role will be responsible for database administration, performance optimization, security, availability, backup and recovery...
Senior
Neshent Technologies
Fishers Island, NY
2 days ago
Sr. Accountant
...McLaughlin Research is hiring a Senior Accountant with 5-8 years relevant experience in New London CT. This position performs a wide variety of accounting duties in connection with the month end financial closing and preparation of financial statements as well as tax...
Senior
Local area
Talentify.io
New London, CT
17 hours ago
Senior Project Engineer
...Project Engineer / Senior Project Engineer Location: Mystic, Connecticut (Full‑time, On‑site) About the Role We are seeking an experienced Project Engineer to lead project planning, design, and permitting, ensuring all milestones, deliverables, and quality standards...
Senior
Full time
For contractors
RecruitPod Global
Mystic, CT
17 hours ago
Senior Mechanical Engineer
...as needed Expenses: GSA Expenses for Site or Corporate travel Job Description/Responsibilities: The Sr. Mechanical Engineer will independently perform advanced engineering and design activities supporting commercial nuclear power plants and related...
Senior
Work at office
BCP Engineers & Consultants
Stonington, CT
17 hours ago
Senior CRM Strategy Specialist
...INTERNAL CAREER SITE: MOHEGAN INTERNAL CAREER SITEPosition Summary:The Senior CRM Strategy Specialist is responsible for leading key CRM... ...key factors influencing customer behavior and makes data-driven recommendations to improve marketing effectivenessPartners...
Senior
Full time
Work at office
Flexible hours
Shift work
Mohegan Sun
Uncasville, CT
2 days ago
Senior Environmental Health and Safety Engineer
Nordson EFD, a global leader in Engineered Fluid Dispensing, is seeking an experienced and highly motivated individual to join our team. We are committed to creating a diverse and inclusive workplace, and we are looking for candidates who share that same commitment.Summary...
Senior
Hourly pay
Full time
For contractors
Local area
Nordson Corporation
Norwich, CT
4 days ago
Senior Luxury Sales Associate
A global fashion house in Mashantucket is seeking a Sales Associate to achieve sales goals while delivering exceptional customer service. You'll act as a brand ambassador, utilizing your creativity and communication skills to engage customers. The ideal candidate has 1-...
Senior
Hourly pay
Flexible hours
Tapestry, Inc.
Mashantucket, CT
7 hours ago
Power Electronics Engineer
...Power Electronics Engineer Location: Concord, MA Security Clearance: US Citizen/Clearable... ...Basic understanding of MATLAB-aided data analysis Proficiency with electronic... ...briefing customers Experience with C/C++ or Python coding for microcontrollers or similar...
Relocation
Henpen Corporation
Groton, CT
3 days ago
Senior Medical Director, Hematology
$274.5k
...Senior Medical Director position within Hematology supporting clinical trials and leading development subteams. This individual contributor... ...Conduct medical monitoring including eligibility assessment, data review, and safety oversight Lead peer-to-peer interactions...
Senior
Pfizer
Groton, CT
9 days ago
Cybersecurity/Network Engineer
...Responsibilities for this Position Cybersecurity/Network Engineer US-CT-Groton Job ID: 2026-19599 Type: Full-Time # of... ...networks. Proficiency in programming languages like C/C++, Java, Python, Go. Experience testing and identifying network and system...
Full time
General Dynamics
Groton, CT
4 days ago

Do you want to receive more vacancies?

Subscribe and receive similar vacancies to Senior Cheminformatics Python Engineer / Chemistry Data Engineer. Be the first to apply!