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Chemistry Data Science Jobs (NOW HIRING)

Mat3ra

Computational Materials Scientist

Walnut Creek, CA · On-site

$90K - $140K/yr

... chemistry, data science, and computer science to help us develop a software framework for designing and discovering new advanced materials and chemicals. Work will focus on (1) the application of ...

Mat3ra

Computational Materials Scientist

Walnut Creek, CA · On-site +1

$90K - $140K/yr

... chemistry, data science, and computer science to help us develop a software framework for designing and discovering new advanced materials and chemicals. Work will focus on (1) the application of ...

Nutrien

Manager, Product Chemistry

Deerfield, IL · On-site

Translate laboratory, R&D, and manufacturing data into clear, compliant regulatory summaries and ... A Bachelor's degree in Chemistry, Analytical Chemistry, Chemical Engineering, Biological Sciences ...

Mercor

Data Science Expert - Fully Remote

New York, NY · Remote

$70 - $100/hr

... Chemistry , Mathematics , Materials Science , or other STEM background. * Demonstrated technical expertise in programming, data analysis, ML modeling , statistical methods, or computational methods.

Novartis

Associate Director, Data Science

Cambridge, MA · Hybrid

$160K - $297K/yr

Advanced degree in life sciences or quantitative discipline (e.g., data science, computational biology, pharmacometrics, bioinformatics, computational chemistry, biomedical engineering or related ...

Mat3ra

Lead Software Engineer (Node.js)

Walnut Creek, CA · On-site

$120K - $180K/yr

Overview We look for Senior Engineers excited about bridging the gap between materials/chemistry, data science, and computer science to help us develop a software framework for designing and ...

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How much do chemistry data science jobs pay per year?

As of Jul 2, 2026, the average yearly pay for chemistry data science in the United States is $122,738.00, according to ZipRecruiter salary data. Most workers in this role earn between $98,500.00 and $136,000.00 per year, depending on experience, location, and employer.

Is 30 too late for data science?

For a Chemistry Data Science role, starting a career at 30 is not too late. Many professionals transition into data science later in life, and acquiring relevant skills such as programming, statistics, and domain knowledge can be done through online courses or certifications. Age is less important than skills, experience, and continuous learning in this field.

What careers can I get with a data science degree?

A data science degree can lead to careers such as data scientist, data analyst, machine learning engineer, or research scientist. These roles involve analyzing large datasets, developing models, and using tools like Python, R, or SQL. They are common in industries like healthcare, finance, technology, and pharmaceuticals, often requiring strong statistical and programming skills.

What are some typical responsibilities of a Chemistry Data Science professional in an industrial or research setting?

Chemistry Data Science professionals are often tasked with analyzing large datasets derived from laboratory experiments or chemical manufacturing processes to uncover patterns, improve yields, or predict properties of new compounds. On a day-to-day basis, they may design predictive models, collaborate with chemists and engineers, and use advanced software to manage and interpret chemical data. The role frequently involves presenting findings to cross-functional teams and supporting decision-making through evidence-based recommendations. This collaborative approach helps drive innovation and efficiency in product development, quality control, or scientific research projects.

Can a chemist be a data scientist?

Yes, a chemist can become a data scientist by developing skills in programming, statistics, and machine learning, often using tools like Python or R. Their background in chemistry provides domain expertise that can be valuable in data analysis within scientific or industrial contexts.

What is a Chemistry Data Science job?

A Chemistry Data Science job involves applying data analysis, machine learning, and computational techniques to solve problems in chemistry. Professionals in this field work with large datasets from experiments, simulations, or literature to extract insights, optimize processes, and make predictions. Common applications include drug discovery, materials science, chemical informatics, and reaction optimization. This role typically requires expertise in chemistry, programming (e.g., Python, R), and statistical modeling.

What are the key skills and qualifications needed to thrive in the Chemistry Data Science position, and why are they important?

To excel in Chemistry Data Science, a strong background in chemistry combined with data analysis skills, usually evidenced by a degree in chemistry, chemical engineering, or a related field along with experience in statistics or data science, is essential. Familiarity with scientific computing, statistical programming languages like Python or R, and data visualization tools, as well as experience with cheminformatics databases, are typically required. Strong problem-solving, collaboration, and communication abilities set candidates apart in this interdisciplinary field. These skills are crucial for extracting actionable insights from complex chemical data, enabling informed decision-making and innovation in research or industry settings.

More about Chemistry Data Science jobs
What cities are hiring for Chemistry Data Science jobs? Cities with the most Chemistry Data Science job openings:
What are the most commonly searched types of Chemistry Data Science jobs? The most popular types of Chemistry Data Science jobs are:
What states have the most Chemistry Data Science jobs? States with the most job openings for Chemistry Data Science jobs include:
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Chemistry Data Science jobs near you
Infographic showing various Chemistry Data Science job openings in the United States as of June 2026, with employment types broken down into 3% As Needed, 92% Full Time, 1% Part Time, 3% Contract, and 1% Nights. Highlights an 87% Physical, 3% Hybrid, and 10% Remote job distribution, with an average salary of $122,738 per year, or $59 per hour.

Senior Data Scientist, Computational Chemistry

Parabilis Medicines

Cambridge, MA • On-site

Full-time

Posted 6 days ago

Job description

About Parabilis Medicines
Parabilis Medicines is a clinical-stage biopharmaceutical company dedicated to creating extraordinary medicines for patients with serious diseases by unlocking biologically important targets long considered undruggable. The company has pioneered a new class of alpha-helical peptides - Helicons™ - capable of modulating intracellular proteins that have historically been beyond the reach of conventional medicines. The company's lead investigational medicine, zolucatetide, is the first and only direct inhibitor of the β-catenin:TCF interaction, a central node in the Wnt/β-catenin pathway that has eluded drug developers for decades. Zolucatetide is being evaluated in the clinic across multiple Wnt/β-catenin-driven diseases, including desmoid tumors, familial adenomatous polyposis (FAP) and a range of other solid tumor indications. Beyond zolucatetide, Parabilis is advancing additional Helicon-based programs focused on other challenging targets where we believe our medicines could have life-altering impact. For more information, visit www.parabilismed.com or follow us on LinkedIn.
What's the opportunity?
We are seeking a highly talented and self-motivated person to contribute to the development of the Computational Drug Discovery group, a strategic function in Data Science that is part of Parabilis's platform discovery engine for HeliconTM stapled-peptide drugs. The skill sets of the group includes state-of-the-art machine learning/generative AI, molecular modeling, cheminformatics and data science towards the discovery and development of HeliconTM stapled-peptide drugs.
You'll be part of a data science team that is a central pillar of Parabilis's innovative discovery platform and pipelines targeting "undruggable" genes of major therapeutic interest to patients. Our data science team is an integrated team, ranging from computational biology, bioinformatics, computational drug discovery, research informatics and engineering. We work at the interface of chemistry, biology, clinical and computational sciences, and are responsible for all aspects of data science, from building the discovery pipeline to supporting and developing our discovery .
Responsibilities
  • Provide computational expertise towards, but not limited to, ternary complex designs for degraders and other proximity-based modalities, hit-to-lead progression using multi-objective optimization, initiating new projects, new drug-target assessments and advancing drug-pipeline projects towards the clinic.
  • Identify, implement, and apply 3D modeling techniques for sampling HeliconTM peptide conformations in presence of a target, in ternary complex, and in different physiological environments.
  • Analyze and derive 3D peptide-structure relationships.
  • Exemplify scientific leadership by partnering across functions and working within a team of talented and passionate scientists to discover drugs.
  • Interface with internal and external partners.

What you'll need to be successful:
  • PhD in Computational Chemistry, Protein Engineering, Chemistry, Physics, Macromolecular sciences or close-related field
  • 5+ years of pharma/biotech industry experience in computational rational drug .
  • Demonstrated experience with ternary complex design and understanding, peptide design or protein engineering and a good understanding of peptide structure-property relationships (e.g. helicity and amphiphilicity metrics, cell penetration).
  • Demonstrated mastery of modern computational chemistry including, but not limited to, peptide folding and docking, use of co-folding foundation models, such as Boltz, structure-based design (receptor and ligand-based), scaffold hopping, docking and conformational analysis.
  • An understanding of modern drug discovery including, but not limited to, medicinal chemistry, multi-parametric optimization, molecular recognition principles, and the ability to adapt and translate these principles to stapled peptides.
  • Excellent communication and collaboration skills, with the ability to work well in a multidisciplinary environment
  • Excellent organizational skills and attention to detail, with a strong passion for learning new concepts and technologies
  • Expertise in one or more peptide modeling environments (e.g. ICM, Rosetta, Amber, GROMACS) and methods (enhanced sampling MD, Monte Carlo, MSM).
  • Demonstrated understanding of critical assessment of molecule-property data and predictive model quality.
  • Demonstrated understanding of experiments behind the data that can be translated to computational analysis.
  • Experience with command line modeling applications.
  • Familiarity with cloud computing environments.
  • Strong scientific programming skills (Python) in a Linux environment.
  • Experience with enterprise research informatics systems such as Dotmatics and chemical and biological data warehouses is a plus.
  • Familiarity with concepts in machine learning.
  • Familiarity with cheminformatics techniques is a plus.
  • Familiarity with use of LLMs and IDEs, such as Cursor, to enhance workflows, productivity and innovation is a plus.
  • Demonstrated use of AI tools in your current role and responsibilities is required. Advanced or innovated use of AI is a strong plus.

Core Values
Parabilis is a team of passionate pioneers who are trailblazing the future of precision medicine with the aim of making a meaningful difference in the lives of patients. The company is committed to promoting an inspiring and flourishing working environment for all employees across the business, in all departments, and driving innovation for patient benefit.
  • Growth-Minded. We're inventing a new class of medicines-one applicable to therapeutic targets that have been dreamt about, but always considered impossible to drug. Our work requires us to be curious, humble and adaptable.
  • In(ter)dependent.We are fiercely independent as a leader in defying the limitations of current therapeutic modalities, and interdependent as a team as we work collaboratively to shift drug discovery paradigms and provide patients with better treatment options.
  • Patient-focused.We are deeply focused on patient outcomes, and all energy in the company is focused on science as it translates to patient impact.
  • All-In.We're All-In on solving some of the hardest scientific challenges and delivering one of the most effective new classes of drugs in history.

The base salary target for this position is $145,000 - $175,000 per year, depending on experience, qualifications, and internal practices. Parabilis's total compensation package also includes an annual target bonus, equity, and a comprehensive suite of competitive benefits designed to support our employees' overall well-being.
As an equal opportunity employer, Parabilis values an inclusive workplace and welcomes applicants of all backgrounds and experiences. All qualified applicants will receive consideration for employment without discrimination on the basis of race, color, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, disability, or any other factors prohibited by law.

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