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Machine Learning Chemistry Jobs (NOW HIRING)

Leash Biosciences is at the forefront of integrating machine learning with drug discovery, aiming to revolutionize medicinal chemistry. They are seeking a highly skilled Machine Learning Engineer to ...

Machine Learning Engineer

Boston, MA · On-site

$150 - $200/hr

About Superluminal Medicines Superluminal Medicines is a generative biology and chemistry company ... About the Role We are seeking a high-impact Machine Learning Developer/Engineer to join our ...

Machine Learning Engineer

Ann Arbor, MI · On-site

$120K - $180K/yr

Partner with process and chemistry experts to understand the unit operations you're modeling. Desired Qualifications * 2-8+ years of experience (including internships or research) in machine learning ...

... chemistry, or engineering required. • Experience preparing data for machine learning and performing exploratory data analysis independently. • Deep knowledge of machine learning techniques ...

... chemistry, or engineering required. • Experience preparing data for machine learning and performing exploratory data analysis independently. • Deep knowledge of machine learning techniques ...

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How much do machine learning chemistry jobs pay per hour?

As of Sep 8, 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 is a machine learning chemistry?

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 does a machine learning chemistry do?

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.

What are the key skills and qualifications needed to thrive in machine learning chemistry?

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.

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What states have the most Machine Learning Chemistry jobs?

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Infographic showing various Machine Learning Chemistry job openings in the United States as of September 2026, with employment types broken down into 1% Internship, 1% As Needed, 74% Full Time, 23% Part Time, and 1% Contract. Highlights an 83% Physical, 2% Hybrid, and 15% Remote job distribution, with an average salary of $46,292 per year, or $22.3 per hour.

Machine Learning Engineer

Tranzeal Incorporated

South San Francisco, CA • On-site

Full-time

Re-posted yesterday


Job description

Job Summary:
Tranzeal Incorporated is seeking talented Machine Learning Engineers to join Prescient Design, a division focused on molecular design methods. The successful candidate will manage projects deploying machine learning techniques for drug design and optimization.
Responsibilities:
• You will join Prescient Design within the Computational Sciences organization in gRED.
• Your peers will be machine learning scientists, engineers, computational chemists, and computational biologists.
• You will closely collaborate with scientists within Prescient and across gRED.
• You will develop machine learning and Bayesian optimization workflows to analyze existing, and design new, small and large molecules.
• You will be expected to form close working relationships with small molecule and protein therapeutic development efforts across the gRED organization.
• You will be expected to work on existing projects and generate new project ideas.
Qualifications:
Required:
• PhD degree in a quantitative field (e.g., Computer Science, Chemistry, Chemical Engineering, Computational Biology, Physics), or MS degree and 3+ years of industry experience.
• Demonstrated experience with machine learning libraries in production-ready workflows (e.g., PyTorch + Lightning + Weights and Biases)
• Record of achievement, including at least one high-impact first author publication or equivalent.
• Excellent written, visual, and oral communication and collaboration skills.
Preferred:
• Experience with physical modeling methods (e.g., molecular dynamics) and cheminformatics toolkits (e.g., rdkit)
• Previous focus on one or more of these areas: molecular property prediction, computational chemistry, de novo drug design, medicinal chemistry, small molecule design, self-supervised learning, geometric deep learning, Bayesian optimization, probabilistic modeling, statistical methods.
• Public portfolio of computational projects (available on e.g. GitHub)
Company:
Tranzeal is an industry leading global Business Transformation Service Provider. Founded in , the company is headquartered in San Jose, USA, with a team of 201-500 employees. The company is currently Growth Stage.

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About Tranzeal

Sourced by ZipRecruiter

Tranzeal is an industry leading global Business Transformation Service Provider. We offer specific consulting services as well as pre-packaged, industry specific solutions and services to companies around the world. Since our foundation, Tranzeal has evolved from a small start up company to a mid market player dedicated to providing solutions and services to SMB and large enterprise customers. Our Consulting Services are dedicated to helping our Clients maximize their investments in IT and the overall effectiveness and efficiency of the business. Tranzeal has built its center of competency in Enterprise Resource Planning, Business Intelligence, Supply Chain Management, Customer Resource Management and Information Integration solutions, as well as specific Service orientated offerings such as Test, Quality Assurance and Data Management.

Industry

Business management consulting

Company size

51 - 200 Employees

Headquarters location

San Jose, CA, US

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