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How much do machine learning chemistry jobs pay per hour?

As of Jul 9, 2026, the average hourly pay for machine learning chemistry in the United States is $22.26, according to ZipRecruiter salary data. Most workers in this role earn between $18.27 and $24.52 per hour, depending on experience, location, and employer.

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

To thrive in a Machine Learning Chemistry role, you need a solid background in chemistry, expertise in data science and machine learning algorithms, and typically an advanced degree in chemistry, computer science, or a related field. Familiarity with programming languages like Python or R and experience working with cheminformatics tools and machine learning frameworks (such as TensorFlow or scikit-learn) are essential. Strong analytical thinking, problem-solving abilities, and effective communication skills enable professionals to bridge the gap between computational work and experimental research teams. These competencies are crucial for developing innovative solutions in chemical research and ensuring successful collaboration across interdisciplinary teams.

What is a Machine Learning Chemistry job?

A Machine Learning Chemistry job involves using artificial intelligence techniques to analyze chemical data, model molecular behaviors, and accelerate discoveries in chemistry-related fields. Professionals in this role develop and apply machine learning algorithms to predict chemical properties, optimize reactions, and assist in drug design, material science, and other applications. They typically work in pharmaceuticals, materials science, or environmental chemistry, collaborating with chemists, data scientists, and engineers to solve complex chemical problems efficiently.

What are the typical projects and daily responsibilities for someone working in Machine Learning Chemistry?

Professionals in Machine Learning Chemistry often work on projects such as developing predictive models for chemical property analysis, optimizing molecular structures, or advancing drug discovery through data-driven methods. Daily tasks may include data preprocessing, building and training machine learning models, validating results, and interpreting outcomes in collaboration with experimental chemists. Teamwork is common, with regular interactions between chemistry researchers, data scientists, and software engineers. This structure allows for iterative feedback and ensures that computational models align with practical lab needs. Continuous learning and adaptation are also key, as both the chemistry and machine learning fields are rapidly evolving.

More about Machine Learning Chemistry jobs
What cities are hiring for Machine Learning Chemistry jobs? Cities with the most Machine Learning Chemistry job openings:
What are the most commonly searched types of Machine Learning Chemistry jobs? The most popular types of Machine Learning Chemistry jobs are:
What states have the most Machine Learning Chemistry jobs? States with the most job openings for Machine Learning Chemistry jobs include:
What job categories do people searching Machine Learning Chemistry jobs look for? The top searched job categories for Machine Learning Chemistry jobs are:
Machine Learning Chemistry jobs near you
Infographic showing various Machine Learning Chemistry job openings in the United States as of July 2026, with employment types broken down into 89% Full Time, and 11% Part Time. Highlights an 100% In-person job distribution, with an average salary of $46,292 per year, or $22.3 per hour.
Machine Learning Engineer - Computational Drug Discovery

Machine Learning Engineer - Computational Drug Discovery

5AM Ventures

Watertown, MA

Full-time

Posted 3 days ago

New

Job description

Our team is dedicated to the development of a broad pipeline of small molecules powered by unique chemistry insights to address a wide range of highly unmet clinical needs.  Our company was created within 5AM Ventures' 4:59 Initiative in 2023.  
The computational team has roots from D. E. Shaw Research, one of the most rigorous computational science environments in the world. You will work directly with and learn from scientists who have operated at the frontier of computational drug discovery.

Your Role

This role sits at the intersection of machine learning research and the experimental teams that rely on computational tools to drive scientific decisions. Your primary responsibility will be ensuring that cutting-edge models move from research into production—reliably, maintainably, and in forms that scientists can effectively use.

For the right candidate, this is an unusually high-impact position. The systems you build will directly influence molecule triage, experimental prioritization, and the pace of scientific discovery. At many organizations, engineers are several layers removed from scientific decision-making. At our team, that distance is effectively zero.

We value ownership, initiative, and execution. Strong performers will have opportunities to grow into areas such as machine learning research, cheminformatics, AI-driven drug discovery, or agent development. The exact trajectory is flexible and can be shaped around individual strengths and interests.

Your Responsibilities
  • Own and maintain production machine learning infrastructure, ensuring models developed by the research team are robust, maintainable, and deployable
  • Develop computational tools, data pipelines, and machine learning systems that support scientific workflows across chemistry and biology
  • Collaborate closely with chemists and biologists to understand requirements and translate them into effective software solutions
  • Design and build internal AI agents and automation systems, with substantial opportunity to define both the technical direction and user experience
  • Write clean, well-tested, version-controlled code and contribute to a strong engineering culture through code review and technical collaboration
Your Background & Qualifications
  • Bachelor’s or Master’s degree in Computer Science, Chemistry, Physics, Data Science, or a related technical field
  • Strong software engineering fundamentals, including code quality, testing, version control, and CI/CD practices
  • Hands-on experience developing machine learning systems using PyTorch
  • Familiarity with undergraduate-level organic chemistry; you do not need to be a chemist, but should be comfortable working with molecular structures and chemical concepts
  • Ability to communicate effectively with scientific collaborators from non-programming backgrounds
  • Strong sense of ownership and the ability to independently drive ambiguous projects from concept to completion
  • We are particularly excited to bring in people who enjoy turning research ideas into tools that scientists actually use. The ideal candidate is comfortable operating across disciplines, takes pride in building reliable systems, and appreciates the opportunity to have a direct impact on scientific decision-making.
PREFERRED QUALIFICATIONS
  • Experience with AWS, MLflow, SQL, Polars, pandas, Ray, or scikit-learn
  • Familiarity with LLM tooling, AI agents, or agent development frameworks
  • Background in cheminformatics, computational biology, bioinformatics, or related fields
  • Experience working in a startup, research, or other highly iterative technical environment

We believe great people do their best work when they're supported. That's why we offer competitive compensation, meaningful equity, comprehensive health benefits, generous time off, professional development opportunities, and the flexibility to do your best work.

In addition to base salary each role has a bonus target to share in company success as well as ownership through equity.

We also provide a full benefits package that is effective from your first day of hire that includes:

  • Medical/Dental insurance with the company covering 90% of your premiums 
    • Fully-funded HSA to cover your deductible responsibility
  • 100% Company-paid life insurance regardless if electing benefits
  • Free parking on-site 
  • Unaccrued vacation time, with the expectation for employees to take at least 3 weeks annually
  • 401k program, employee funded
  • Weekly catered team lunch
  • On-site fitness center with free classes and amenities

 We are an equal opportunity employer. We do not discriminate in regard to race, color, religion, national origin, age, sex, sexual orientation, gender identity, marital status, ancestry, physical or mental disability, veteran status, or any other legally protected characteristics.

Please note that we do not accept unsolicited resumes from recruitment agencies and external recruiters. No fees will be paid for such submissions.

We may use artificial intelligence (AI) tools to support parts of the hiring process, such as reviewing applications, analyzing resumes, or assessing responses and identifying potential inconsistencies or verification signals in application materials based on available information. These tools assist our recruitment team but do not replace human judgment. Final hiring decisions are ultimately made by humans. If you would like more information about how your data is processed, please contact us.