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Machine Learning Chemistry Jobs (NOW HIRING)

Nanite Inc.

Machine Learning Engineer

Boston, MA · On-site

Nanite is a disruptive Machine Learning/AI therapeutics company focused on revolutionizing drug ... Collaborate with chemistry and biology research teams to design data pipelines, analyze ...

Nanite Inc.

Machine Learning Engineer

Boston, MA · On-site

Nanite is a disruptive Machine Learning/AI therapeutics company focused on revolutionizing drug ... Collaborate with chemistry and biology research teams to design data pipelines, analyze ...

Rolls-Royce

Machine Learning Engineer

Indianapolis, IN · On-site

Bachelor's degree in Engineering, Chemistry, Computer Science, Information Technology, Mathematics, Data Science, Physics with 2+ years of machine learning experience; OR * Masters degree in ...

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Mariana Minerals

Machine Learning Engineer

Ann Arbor, MI · On-site

$120K - $160K/yr

Partner with process and chemistry experts to understand the unit operations you're modeling. Desired Qualifications * 0-4 years of experience (including internships or research) in machine learning ...

Schrodinger

Machine Learning Platform Engineer

New York, NY · On-site

$120K - $145K/yr

Our machine learning platform, LiveDesignML, supports applications ranging from molecular property prediction and generative chemistry to protein modeling. Who will love this job: * A highly-skilled ...

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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.

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What cities are hiring for Machine Learning Chemistry jobs? Cities with the most Machine Learning Chemistry job openings:
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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

Machine Learning Engineer

Nanite Inc.

Boston, MA • On-site

Full-time

Re-posted yesterday

Job description

Our mission is to deliver the undeliverable.

 

Nanite is a disruptive Machine Learning/AI therapeutics company focused on revolutionizing drug delivery. The research intern will be in a fast-paced start-up environment playing a crucial technical role in generating cell culture and transfection data. The candidate will work with senior leadership and partner projects gaining broad internal and external exposure.

Essential Functions and Duties

  • Design and implement complex data engineering processes to support innovative data science modeling
  • Collaborate with chemistry and biology research teams to design data pipelines, analyze experimental data and implement experimentally actionable feed-back loops
  • Apply and deploy established and novel statistical and machine learning algorithms to explore, understand and optimize properties of the vast delivery vehicle space, both in silico and experimentally
  • Develop robust, scalable workflows and maintain security controls to protect sensitive data across cloud and on-premise environments
  • Coordinate with cross-functional teams to deploy models and communicate results and with a focus on computational efficiency, performance, and usability
  • Design of repositories, CI/CD pipelines and integration tests for ML workflows

Qualifications

MS in Computer Science, Data Science, Statistics, Computational Biology, Computational Chemistry, or a related discipline with 2 years hands-on machine learning experience. 

Knowledge, Skills, and Abilities

  • Track record developing statistical and machine learning models for complex and unconventional real-life problems
  • Strong mathematical and coding skills
  • Proficiency in Python,  MLOps (W&B, MLFlow) and ML packages (scikit-learn, PyTorch, JAX), along with SQL and AWS.
  • Familiarity with ML workflow best practices.
  • Interest in applications of machine learning in biotechnology
  • Strong communication skills, both written and verbal
  • Experience doing research and working with interdisciplinary teams

Additional Preferred Experience (desired, but not essential):

  • Experience in an industry setting related to biotechnology, chemicals, or materials manufacturing
  • Experience with cheminformatics, computational chemistry, computational biology databases, data structures, material science and modelling package

Computer and modeling work required, this is an on-site position based in the Seaport of Boston, MA.

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