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ML/AI Engineer with Chemistry/Cheminformatics domain expertise jobs in United States
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Quantori · 10 hours ago

ML/AI Engineer with Chemistry/Cheminformatics domain expertise

positionUnited States
timeFull-time
remoteRemote
seniorityMid Level
Quantori is a company seeking a skilled and motivated ML/AI Engineer to join their dynamic team. The role involves supporting agent development, deployment, and evaluation, collaborating with scientific and technical experts, and contributing to the development of AI chatbots and agent-based systems.
HealthcareSoftwarePharmaceuticalInformation TechnologyLife ScienceHealth Care

Responsibilities

Develop, evaluate, and deploy AI chatbots and agent-based systems
Collaborate with engineering teams on microservices architecture, reliability and security
Write modular, maintainable, and well-tested code
Participate in code reviews and contribute to project planning and delivery
Work closely with data scientists, engineers, and domain experts
Iterate rapidly in an applied research environment

Qualification

PythonML/DL fundamentalsChemistry/CheminformaticsPyTorchDockerData/ML pipelinesGitHub/GitLabQuick learnerEnglish proficiencyCommunication skills

Required

Strong Python engineering skills: OOP, unit/integration testing (pytest), asyncio, FastAPI
Solid understanding of ML/DL fundamentals
Practical experience training and fine-tuning ML models with PyTorch (preferred) or similar frameworks and solid use of NumPy and scikit-learn for modeling and data processing
Chemistry/cheminformatics domain expertise
Hands-on experience building production LLM applications and agents (RAG pipelines, text-to-SQL, multi-step reasoning, tool/function calling, MCP, controlled code execution)
Experience with document processing (structured data extraction from DOCX, PDF)
Experience designing modular data/ML pipelines, API, CI/CD integration
Ability to containerize and deploy applications using Docker
Hands-on experience with relational and NoSQL databases
Familiarity with scientific data systems (e.g. Dotmatics)
Understanding of molecular representations (SMILES, fingerprints, descriptors) and practical experience with cheminformatics tools (e.g. RDKit)
Experience with GitHub/GitLab workflows (CI pipelines, PRs, reviews)
Upper-Intermediate or higher level of English proficiency
Ability to work with external clients and strong communication skills
Ability to interpret and implement research ideas and algorithms
Quick learner with the ability to adapt to new technologies, frameworks, and algorithms

Preferred

Experience with agentic observability platforms (e.g. Langfuse, LiteLLM, Portkey)
Ability to iterate quickly in applied research settings

Benefits

Healthcare benefits: medical insurance and paid sick leave
Continuous education, mentoring, and professional development programs
Certifications paid by the company

Company

Quantori

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Quantori is a software company that renders its digital IT and data science expertise services for Life Sciences and Healthcare research.
dateFounded in 2020
location
Cambridge, Massachusetts, USA
people-size501-1000 employees
web-link
https://quantori.com/

Funding

Current Stage
Late Stage
Total Funding
$15M
Key Investors
Flint Capital
2022-07-12Seed· $15M

Leadership Team

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Richard Golob
Chief Executive Officer
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Sean Murphy
Senior Vice President, Client Services
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Recent News

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Company data provided by crunchbase