ZipRecruiter

Log In

1

Machine Learning Chemistry Jobs (NOW HIRING)

Bayer

Principal Machine Learning Scientist

Cambridge, MA · On-site

$123K - $185K/yr

D. degree in Computational Chemistry/Biology, Chem/Bioinformatics, Chemical/Biological/Molecular Engineering, or a related field at the intersection of life sciences and computer science; * Deep ...

Strativ Group

Senior Product Manager

San Francisco, CA

$149K - $196K/yr

We are partnered with a frontier AI research lab that is revolutionizing drug discovery by combining advanced machine learning, computational chemistry, and biology to uncover new therapeutic ...

next page

Showing results 1-20

All JobsMachine Learning Chemistry Jobs

Machine Learning Chemistry information

See salary details

$13

$22

$32

How much do machine learning chemistry jobs pay per hour?

As of Jun 18, 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 June 2026, with employment types broken down into 8% Internship, 53% Full Time, 31% Part Time, and 8% Temporary. Highlights an 100% In-person job distribution, with an average salary of $46,292 per year, or $22.3 per hour.
Principal Machine Learning Scientist

Principal Machine Learning Scientist

Bayer

Cambridge, MA • On-site

$123K - $185K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 12 days ago

Bayer rating

8.1

Company rating: 8.1 out of 10

Based on 65 frontline employees who took The Breakroom Quiz

32nd of 71 rated pharmaceutical

Job description

At Bayer we're visionaries, driven to solve the world's toughest challenges and striving for a world where 'Health for all Hunger for none' is no longer a dream, but a real possibility. We're doing it with energy, curiosity and sheer dedication, always learning from unique perspectives of those around us, expanding our thinking, growing our capabilities and redefining 'impossible'. There are so many reasons to join us. If you're hungry to build a varied and meaningful career in a community of brilliant and diverse minds to make a real difference, there's only one choice.
Principal Machine Learning Scientist
The Principal Machine Learning Scientist will develop novel machine learning algorithms and workflows for accelerating early-stage drug discovery. In this role, you are responsible for constructing, studying, and training algorithms that learn from complex, high-dimensional data to uncover patterns and develop practical predictive models and applications. Involves utilizing various techniques, such as random forests, deep learning, and neural networks, to enhance the predictive capabilities of algorithms, particularly in natural language processing and machine perception. Focuses on simulating human learning activities, improving system performance through data analysis, and developing deep learning frameworks and systems that operate independently of explicit programming instructions. By continuously refining models and exploring new methodologies, contributes to innovative solutions that leverage machine learning for diverse applications.
YOUR TASKS AND RESPONSIBILITIES
The primary responsibilities of the Principal Machine Learning Scientist are to:
  • Develop, evaluate, and apply machine learning algorithms and workflows for accelerating early-stage drug discovery, including but not limited to (i) de-novo design of biomolecules, (ii) assessment of target druggability across therapeutic modalities (iii) design of drug delivery systems, (iv) identification of novel druggable pockets and epitopes, (vi) characterization of protein-protein and protein-ligand interactions;
  • Contribute to the implementation, validation, and improvement of machine learning tools and software solutions that support drug discovery activities;
  • Identify opportunities for accelerating ongoing drug discovery projects with internal and external AI capabilities;
  • Communicate, educate, and engage with a broad set of stakeholders (chemists, biologists, computational/data scientists, R&D leadership) on the state of technology and the progress of key internal initiatives. Engage with the broader scientific community through publications, talks, and open-source;
  • Keep up to date with the latest advances in AI-driven modeling of biomolecular structure and dynamics.

WHO YOU ARE
Bayer seeks an incumbent who possesses the following:
Required Qualifications:
  • Ph.D. degree in Computational Chemistry/Biology, Chem/Bioinformatics, Chemical/Biological/Molecular Engineering, or a related field at the intersection of life sciences and computer science;
  • Deep expertise with state-of-the-art machine learning methods for modeling biomolecules, like co-folding and/or generative methods for protein design;
  • Expertise in handling, processing, integrating and analyzing large datasets related to drug development research, including biochemical, biophysical, and structural biology data;
  • Strong programming skills in Python;
  • Demonstrated commitment to scientific rigor, a track record of scientific excellence, strong analytical thinking, and a high degree of self-motivation;
  • Excellent written and verbal communication.

Preferred Qualifications:
  • 5+ years of relevant post-PhD experience, including 2+ years in industry;
  • Experience with established, physics-based protein modelling methods like Molecular Dynamics and/or Rosetta;
  • Experience in coordinating small, interdisciplinary teams and ability to articulate their impact to managerial stakeholders;
  • Strong record of publications or patents related to machine learning solutions for biomolecular modeling.

Employees can expect to be paid a salary between $123,760.00 - $185,640.00. Additional compensation may include a bonus or commission (if relevant). Additional benefits include healthcare, vision, dental, retirement, PTO, sick leave, etc.
This salary range is merely an estimate and may vary based on an applicant's location, market data/ranges, skills, prior relevant experience, certain degrees and certifications, and other relevant factors.
This posting will be available for application until at least 04/17/2026.
YOUR APPLICATION
Bayer offers a wide variety of competitive compensation and benefits programs. If you meet the requirements of this unique opportunity, and want to impact our mission Health for all, Hunger for none, we encourage you to apply now. Be part of something bigger. Be you. Be Bayer.
To all recruitment agencies: Bayer does not accept unsolicited third party resumes.
Bayer is an Equal Opportunity Employer/Disabled/Veterans
Bayer is committed to providing access and reasonable accommodations in its application process for individuals with disabilities and encourages applicants with disabilities to request any needed accommodation(s) using the contact information below.
Equal Opportunity Employer Statement: Notice for U.S. Visitors: All information on this site is subject to compliance with local rule and regulations as they may vary from time to time and across different geographies, including, without limitation, U.S. Executive Orders. Bayer is an E-Verify Employer. Location:United States : Massachusetts : Cambridge Division:Pharmaceuticals Reference Code:865491 Contact Us Email:hrop_usa@bayer.com

What Bayer employees say

Pay

Benefits

Hours and flexibility

Workplace

Get the full story on Breakroom

Bayer logo

About Bayer

Sourced by ZipRecruiter

Bayer is a global enterprise with core competencies in the life science fields of healthcare and nutrition. We design our products and services to help people and planet thrive by supporting efforts to address the unprecedented global challenges presented by a growing and aging global population. At Bayer, we’re committed to drive sustainable development and generate a positive impact with our businesses. Through bold ideas and unprecedented insights, we’re pioneering new possibilities that advance life for all of us. That means reimagining how we care for ourselves and one another by empowering everyday health, improving approaches to patient care, and finding better ways to nourish our communities around the world.

Industry

Agriculture

Company size

10,000+ Employees

Headquarters location

Whippany, NJ, US

View All Bayer Jobs

Apply