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Computational Scientist Rdkit Jobs (NOW HIRING)

... science, and software engineering to develop drugs for previously undruggable targets. Role ... Familiarity with cheminformatics toolkits such as RDKit for molecular property prediction and data ...

We hire top 1% talent to join our interdisciplinary team of scientists, engineers, researchers ... Familiarity with cheminformatics toolkits such as RDKit for molecular property prediction and data ...

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Computational Scientist Rdkit information

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$50.5K

$111.3K

$137.5K

How much do computational scientist rdkit jobs pay per year?

As of May 31, 2026, the average yearly pay for computational scientist rdkit in the United States is $111,343.00, according to ZipRecruiter salary data. Most workers in this role earn between $94,500.00 and $137,000.00 per year, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive as a Computational Scientist working with 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.

How does a Computational Scientist working with 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 is a Computational Scientist specializing in 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.

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.

More about Computational Scientist Rdkit jobs
What cities are hiring for Computational Scientist Rdkit jobs? Cities with the most Computational Scientist Rdkit job openings:
What states have the most Computational Scientist Rdkit jobs? States with the most job openings for Computational Scientist Rdkit jobs include:
Infographic showing various Computational Scientist Rdkit job openings in the United States as of May 2026, with employment types broken down into 86% Full Time, 10% Part Time, and 4% Contract. Highlights an 73% Physical, 2% Hybrid, and 25% Remote job distribution, with an average salary of $111,343 per year, or $53.5 per hour.

Principal Data Scientist - R&D DSDH - Therapeutics Discovery (TD)

Johnson & Johnson

Spring House, PA • On-site

Full-time

PTO

Posted 20 days ago


Johnson & Johnson rating

8.1

Company rating: 8.1 out of 10

Based on 99 frontline employees who took The Breakroom Quiz

32nd of 70 rated pharmaceutical


Job description

At Johnson & Johnson,we believe health is everything. Our strength in healthcare innovation empowers us to build aworld where complex diseases are prevented, treated, and cured,where treatments are smarter and less invasive, andsolutions are personal.Through our expertise in Innovative Medicine and MedTech, we are uniquely positioned to innovate across the full spectrum of healthcare solutions today to deliver the breakthroughs of tomorrow, and profoundly impact health for humanity.Learn more at jnj.com

As guided by Our Credo, Johnson & Johnson is responsible to our employees who work with us throughout the world. We provide an inclusive work environment where each person is considered as an individual. At Johnson & Johnson, we respect the diversity and dignity of our employees and recognize their merit.

Job Function:

Data Analytics & Computational Sciences

Job Sub Function:

Data Science

Job Category:

Scientific/Technology

All Job Posting Locations:

Cambridge, Massachusetts, United States of America, La Jolla, California, United States of America, Spring House, Pennsylvania, United States of America

Job Description:

Johnson & Johnson Innovative Medicine is recruiting for Principal Data Scientist - R&D DSDH - Therapeutics Discovery (TD)

The primary location for this position is open toSpring House, PA; Titusville, NJ; Spring House, PA; Cambridge, MA; San Diego, CA; Beerse, Belgium; Madrid, Spain; or Barcelona, Spain.

Candidate Interested in our EMEA based locations, please apply to R-069202

About the Role

Johnson & Johnson Innovative Medicine is seeking a highly skilled R&D Data Scientist to support our Therapeutics Discovery (TD) organization. This role sits within the R&D Data Science group and will focus on building and applying advanced Machine Learning (ML) and Data Engineering solutions that accelerate scientific innovation across the drug discovery lifecycle. The ideal candidate brings strong computational expertise and a solid scientific understanding of early R&D, including areas such as Target Identification & Assessment, Lead Identification & Optimization, Mechanistic / Mode of Action studies, and Lab Automation & highthroughput experimentation.

The Data Scientist will collaborate closely with discovery scientists, automation engineers, computational biologists, and platform technology teams to transform complex, multimodal R&D data into actionable insights that drive therapeutic innovation.

Key Responsibilities

Machine Learning & Modeling

  • Develop ML/AI models that support discovery workflows, including target prioritization, multiomics integration, and mechanistic inference.

  • Apply modern ML approaches (e.g., deep learning, graph learning, foundation models, generative models) to chemical, biological, imaging, and assay datasets.

  • Build and optimize models for realworld R&D use cases, ensuring scalability, interpretability, and scientific rigor.

Data Engineering & Pipeline Development

  • Design, build, and maintain robust data pipelines that curate, standardize, and integrate diverse R&D datasets (chemical, biological, multiomics, imaging, biophysical, automation logs, etc.).

  • Partner with platform teams to implement bestpractice MLOps/DevOps workflows and deploy ML models into production R&D environments

  • Develop tooling that accelerates dataset preparation, feature engineering, and model lifecycle management across TD.

Scientific Partnership

  • Work handinhand with TD scientists to understand key biological and chemical questions and shape computational strategy accordingly.

  • Translate sparse, heterogeneous experimental datasets into insights that guide decisionmaking in hit discovery, mechanism studies, perturbation experiments, and compound optimization.

  • Participate in design, interpretation, and iterative refinement of discovery experiments.

Innovation & Collaboration

  • Partner with cross-functional teams in R&D Data Science, IT, platform engineering, and therapeutic area groups to drive AI/ML adoption.

  • Contribute to evaluating new analytical methods, automation technologies, and data platforms supporting nextgeneration discovery science.

  • Champion high standards for data quality, documentation, governance, and reproducibility.

Qualifications

Required

  • Master's or Ph.D. in Computational Biology, Bioinformatics, Data Science, Chemistry, Chemical Biology, Biomedical Engineering, Computer Science, or related field.

  • Experience applying ML/AI in scientific domains (drug discovery, biology, chemistry, systems biology, imaging, or related areas).

  • Strong programming skills in Python (preferred) and experience with scientific/ML libraries (PyTorch, TensorFlow, scikitlearn, RDKit, etc.).

  • Practical experience with data engineering, including data modeling, workflow orchestration, ETL/ELT pipelines, and cloud computing environments (AWS, GCP, or Azure).

  • Ability to work directly with experimental scientists to solve real R&D challenges.

Preferred

  • Experience in pharma or biotech discovery, including target assessment, phenotypic screening, medicinal chemistry workflows, and lab automation.

  • Familiarity with omics, highcontent imaging, chemical structure data, or biological assay data.

  • Knowledge of data standards (e.g., FAIR, ontologies, controlled vocabularies) and working within regulated or qualitygoverned environments.

  • Strong communication skills and ability to thrive in a matrixed, multidisciplinary environment.

Why This Role Is Unique

This is a rare opportunity to grow in one of the world's most ambitious and fastest-growing Pharma R&D Data Science organizations, shaping how TD data powers nextgeneration therapies in the largest biomedical company on the planet. Your work will directly accelerate Johnson & Johnson's scientific discovery, fuel AI innovation, and impact patients globally.

Johnson & Johnson is an Equal Opportunity Employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, age, national origin, disability, protected veteran status or other characteristics protected by federal, state or local law. We actively seek qualified candidates who are protected veterans and individuals with disabilities as defined under VEVRAA and Section 503 of the Rehabilitation Act.

Johnson & Johnson is committed to providing an interview process that is inclusive of our applicants' needs. If you are an individual with a disability and would like to request an accommodation, external applicants please contact us via https://www.jnj.com/contact-us/careers, internal employees contact AskGS to be directed to your accommodation resource.

#JRDDS

#JNJDataScience

JNJIMRND-DS

Required Skills:

Preferred Skills:

Advanced Analytics, Coaching, Critical Thinking, Data Analysis, Data Privacy Standards, Data Quality, Data Reporting, Data Savvy, Data Science, Data Visualization, Digital Fluency, Econometric Models, Organizing, Process Improvements, Strategic Thinking, Technical Credibility, Workflow Analysis

The anticipated base pay range for this position is :

$117,000.00 - $201,250.00

Additional Description for Pay Transparency:

Subject to the terms of their respective policies and date of hire, employees are eligible for the following time off benefits:
Vacation -120 hours per calendar year
Sick time - 40 hours per calendar year; for employees who reside in the State of Colorado -48 hours per calendar year; for employees who reside in the State of Washington -56 hours per calendar year
Holiday pay, including Floating Holidays -13 days per calendar year
Work, Personal and Family Time - up to 40 hours per calendar year
Parental Leave - 480 hours within one year of the birth/adoption/foster care of a child
Bereavement Leave - 240 hours for an immediate family member: 40 hours for an extended family member per calendar year
Caregiver Leave - 80 hours in a 52-week rolling period10 days
Volunteer Leave - 32 hours per calendar year
Military Spouse Time-Off - 80 hours per calendar year
For additional general information on Company benefits, please go to: - https://www.careers.jnj.com/employee-benefits

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