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Computational Scientist Rdkit Jobs in Cambridge, MA

micro1 AI

Bioinformatics Software Engineer

Brockton, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

micro1 AI

Bioinformatics Software Engineer

Quincy, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

micro1 AI

Bioinformatics Software Engineer

Boston, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

micro1 AI

Cheminformatics Specialist - Remote

Lowell, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

micro1 AI

Bioinformatics Software Engineer

Cambridge, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

micro1 AI

Bioinformatics Software Engineer

Lowell, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

micro1 AI

Cheminformatics Specialist - Remote

Lynn, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

micro1 AI

Cheminformatics Specialist - Remote

Boston, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

micro1 AI

Bioinformatics Software Engineer

Lynn, MA · Remote

$80 - $110/hr

Computational Biology & Cheminformatics Expert Role Type: Contractor Location: Remote micro1 is ... Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance ...

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Showing results 21-40

All JobsComputational Scientist Rdkit JobsComputational Scientist Rdkit Jobs in Cambridge, MA

Computational Scientist Rdkit information

See Cambridge, MA salary details

$55.2K

$121.7K

$150.3K

How much do computational scientist rdkit jobs pay per year?

As of Sep 1, 2026, the average yearly pay for computational scientist rdkit in Cambridge, MA is $121,695.00, according to ZipRecruiter salary data. Most workers in this role earn between $103,300.00 and $149,700.00 per year, depending on experience, location, and employer.

What is a computational scientist RDKit?

A Computational Scientist specializing in RDKit is a professional who uses computational methods and the RDKit cheminformatics toolkit to analyze and model chemical structures and reactions. They often work in fields like drug discovery, materials science, or chemical engineering, leveraging RDKit for tasks such as molecular fingerprinting, property prediction, virtual screening, and data visualization. Their expertise combines advanced programming skills, a strong understanding of chemistry, and the ability to develop or optimize algorithms for chemical data analysis.

How does a computational scientist RDKit typically collaborate with chemists and software engineers on research projects?

Computational Scientists specializing in RDKit often work closely with chemists to translate scientific questions into computational workflows, such as molecule property prediction or virtual screening. They also collaborate with software engineers to integrate RDKit functionalities into larger platforms or to optimize code for performance and scalability. Effective communication and project management are essential, as these interdisciplinary teams rely on regular meetings, shared documentation, and iterative feedback to ensure research goals are met efficiently. This collaborative environment not only fosters scientific innovation but also provides opportunities to learn from experts in related fields.

What are the key skills and qualifications needed to thrive as a computational scientist RDKit, and why are they important?

To thrive as a Computational Scientist using RDKit, you need a strong background in cheminformatics, computational chemistry, and programming, typically with an advanced degree in chemistry, bioinformatics, or a related field. Proficiency in Python, familiarity with RDKit libraries, and experience using molecular modeling and data analysis tools are essential. Critical thinking, problem-solving, and effective collaboration are important soft skills for translating scientific questions into computational solutions. These competencies enable accurate molecular data analysis, innovation in research, and successful teamwork in interdisciplinary environments.

What is the difference between Computational Scientist Rdkit vs Computational Chemist?

AspectComputational Scientist RdkitComputational Chemist
Required CredentialsDegree in Chemistry, Bioinformatics, or related; programming skills in Python; familiarity with RDKitDegree in Chemistry, Chemical Engineering, or related; strong background in molecular modeling and programming
Work EnvironmentResearch labs, biotech companies, pharmaceutical firms; focus on software development and data analysisAcademic or industrial labs; focus on experimental design, molecular simulations, and data interpretation
Industry UsageUsed in cheminformatics, drug discovery, and molecular data analysisApplied in pharmaceuticals, materials science, and chemical research

Computational Scientist Rdkit specializes in developing and applying cheminformatics tools using RDKit, often combining programming and data analysis. Computational Chemist focuses on molecular modeling, simulations, and chemical research. While both roles require chemistry knowledge and programming skills, the Computational Scientist Rdkit role emphasizes software development and data processing, whereas the Computational Chemist emphasizes experimental and theoretical chemistry applications.

What are popular job titles related to Computational Scientist Rdkit jobs in Cambridge, MA?

For Computational Scientist Rdkit jobs in Cambridge, MA, the most frequently searched job titles are:

What job categories do people searching Computational Scientist Rdkit jobs in Cambridge, MA look for?

The top searched job categories for Computational Scientist Rdkit jobs in Cambridge, MA are:

What cities near Cambridge, MA are hiring for Computational Scientist Rdkit jobs?

Cities near Cambridge, MA with the most Computational Scientist Rdkit job openings:

Computational Scientist Rdkit jobs near you
Infographic showing various Computational Scientist Rdkit job openings in Cambridge, MA as of August 2026, with employment types broken down into 1% Internship, 1% As Needed, 84% Full Time, 11% Part Time, and 3% Contract. Highlights an 88% Physical, 4% Hybrid, and 8% Remote job distribution, with an average salary of $121,695 per year, or $58.5 per hour.

Research Senior Scientist, Cheminformatics AI/ML

Takeda Pharmaceutical Company Limited

Boston, MA • On-site

$137K - $215K/yr

Full-time

Dental, Vision, Life, Retirement, PTO

Posted 14 days ago

Takeda Pharmaceuticals rating

7.3

Company rating: 7.3 out of 10

Based on 71 frontline employees who took The Breakroom Quiz

70th of 86 rated pharmaceutical

Job description

By clicking the "Apply" button, I understand that my employment application process with Takeda will commence and that the information I provide in my application will be processed in line with Takeda's Privacy Notice and Terms of Use. I further attest that all information I submit in my employment application is true to the best of my knowledge.
Job Description
Objective / Purpose:
We are seeking a skilled cheminformatic scientist to join Takeda's cheminformatics team. This role will be key to fostering a "prediction-first" culture, integrating cheminformatics, computational chemistry, and machine learning to accelerate drug design. The candidate will collaborate closely with global teams in medicinal chemistry, DMPK, and AI/ML, defining a roadmap for computational tools that empower medicinal chemists to drive innovation.
Accountabilities:
  • Develop and apply agentic AI solutions for drug discovery, including autonomous or human-in-the-loop workflows that integrate scientific reasoning, molecular design, data analysis, and computational tools.
  • Identify opportunities throughout the DMTA cycle where predictive tools can drive acceleration. Build predictive models for molecule design and optimization. Extract medchem design knowledge from large-scale chemical and biological datasets.
  • Establish and maintain MLOps capabilities for predictive models, including reproducible training and deployment pipelines, model lifecycle orchestration, performance monitoring, versioning, and scheduled retraining.
  • Build, maintain, and enable efficient search and analytics across ultra-large chemical databases, including scalable data ingestion, standardization, indexing, similarity and substructure search, and distributed computing workflows.
  • Stay updated with emerging trends in computational chemistry and machine learning as applied to drug discovery. Implement and execute innovative computational methodologies and tools such as AI-based drug discovery, generative chemistry, synthesizable chemical space exploration, DNA Encoded Library (DEL) data analysis and DEL/ML application.
  • Serve as a trusted thought partner, helping to drive ideation and execution of innovative chemistry strategies that meet Takeda's therapeutic goals.

Education & Competencies (Technical and Behavioral):
  • PhD in Computational Chemistry, Cheminformatics, Computer Science or related disciplines, with 2+ years of experience in pharmaceutical or biotech setting.
  • Demonstrated experience developing and applying agentic AI systems in drug discovery, including integrating and orchestrating chemical and biological databases, foundation models, scientific software tools, and multi-step computational workflows.
  • Hands-on experience with MLOps and model lifecycle management, including workflow orchestration, CI/CD, model registries, monitoring, version control, and deployment in cloud or high-performance computing environments.
  • Experience building, maintaining, and searching ultra-large chemical databases using scalable data engineering, distributed computing, and high-performance search technologies; familiarity with cloud storage, vector search, and chemical indexing is highly desirable.
  • Solid programming and scripting capabilities (e.g., Python, R, C/C++) with a proven ability to design and automate scalable computational workflows.
  • Strong expertise in cheminformatics toolkits such as RDKit. Comprehensive knowledge of the DMTA cycle with demonstrated success in deploying predictive tools across the design process. Experience leading strategic initiatives to accelerate DMTA cycle.

This role is based in Cambridge, MA.
Takeda Compensation and Benefits Summary
We understand compensation is an important factor as you consider the next step in your career. We are committed to equitable pay for all employees, and we strive to be more transparent with our pay practices.
For Location:
Boston, MA
U.S. Base Salary Range:
$137,000.00 - $215,270.00
The estimated salary range reflects an anticipated range for this position. The actual base salary offered may depend on a variety of factors, including the qualifications of the individual applicant for the position, years of relevant experience, specific and unique skills, level of education attained, certifications or other professional licenses held, and the location in which the applicant lives and/or from which they will be performing the job. The actual base salary offered will be in accordance with state or local minimum wage requirements for the job location.
U.S. based employees may be eligible for short-term and/ or long-term incentives. U.S. based employees may be eligible to participate in medical, dental, vision insurance, a 401(k) plan and company match, short-term and long-term disability coverage, basic life insurance, a tuition reimbursement program, paid volunteer time off, company holidays, and well-being benefits, among others. U.S. based employees are also eligible to receive, per calendar year, up to 80 hours of sick time, and new hires are eligible to accrue up to 120 hours of paid vacation.
EEO Statement
Takeda is proud in its commitment to creating a diverse workforce and providing equal employment opportunities to all employees and applicants for employment without regard to race, color, religion, sex, sexual orientation, gender identity, gender expression, parental status, national origin, age, disability, citizenship status, genetic information or characteristics, marital status, status as a Vietnam era veteran, special disabled veteran, or other protected veteran in accordance with applicable federal, state and local laws, and any other characteristic protected by law.
Locations
Boston, MA
Worker Type
Employee
Worker Sub-Type
Regular
Time Type
Full time
Job Exempt
Yes
It is unlawful in Massachusetts to require or administer a lie detector test as a condition of employment or continued employment. An employer who violates this law shall be subject to criminal penalties and civil liability.

What Takeda Pharmaceuticals employees say

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Benefits

Hours and flexibility

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About Takeda Ventures

Sourced by ZipRecruiter

Industry

Investment clubs and venture capital companies, pharmaceutical product wholesalers and pharmaceutical and medicine manufacturing

Company size

1 - 10 Employees

Headquarters location

San Diego, CA, US

Social media

Twitter

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