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Molecular Modeling Jobs (NOW HIRING)

$84K - $115K/yr

Initial focus will be related to modeling of antibodies and small molecule drug formulations. The successful candidate is expected to collaboratively work with process, formulation, computational ...

New

$99K - $135K/yr

Expert execution of atomistic molecular modeling and molecular dynamics simulations.Application of predictive approaches to address scientific problems across pharmaceutical characterization ...

New

$88K - $121K/yr

Expert execution of atomistic molecular modeling and molecular dynamics simulations.Application of predictive approaches to address scientific problems across pharmaceutical characterization ...

New

$84K - $115K/yr

Initial focus will be related to modeling of antibodies and small molecule drug formulations. The successful candidate is expected to collaboratively work with process, formulation, computational ...

New

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Molecular Modeling information

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$11K

$80.7K

$103.5K

How much do molecular modeling jobs pay per year?

As of Sep 5, 2026, the average yearly pay for molecular modeling in the United States is $80,687.00, according to ZipRecruiter salary data. Most workers in this role earn between $69,000.00 and $98,500.00 per year, depending on experience, location, and employer.

What is a molecular modeling?

A Molecular Modeling job involves using computer simulations and theoretical techniques to study molecular structures, interactions, and properties. Professionals in this field apply computational chemistry, molecular dynamics, and quantum mechanics to predict molecular behavior in drug discovery, materials science, and biochemistry. They work with specialized software and collaborate with experimental scientists to design and optimize compounds for various applications.

What are the key skills and qualifications needed to thrive in molecular modeling, and why are they important?

To thrive in Molecular Modeling, you typically need a strong background in chemistry, biochemistry, or a related field, with a solid understanding of molecular structures and computational methods. Experience with molecular modeling software such as Schrödinger, MOE, or Gaussian, as well as familiarity with scripting languages like Python, is highly valuable. Analytical thinking, problem-solving abilities, and effective communication are key soft skills for interpreting complex data and collaborating with interdisciplinary teams. These qualifications are crucial for accurately modeling molecular systems, advancing research projects, and facilitating successful teamwork in scientific environments.

What are the typical career advancement opportunities for someone in molecular modeling?

Molecular modeling professionals can pursue a variety of career advancement opportunities, including progressing to lead scientist or principal investigator roles, moving into project management, or specializing in areas like drug design or materials science. With experience, you may also transition into roles in academia, regulatory affairs, or scientific consulting. Continued professional development through advanced degrees, certifications, or technical workshops can further expand your options and responsibilities. Additionally, collaborating on interdisciplinary projects and publishing research can enhance your reputation and open doors to leadership positions in the field.

More about Molecular Modeling jobs

What cities are hiring for Molecular Modeling jobs?

Cities with the most Molecular Modeling job openings:

What are the most commonly searched types of Molecular Modeling jobs?

The most popular types of Molecular Modeling jobs are:

What states have the most Molecular Modeling jobs?

States with the most job openings for Molecular Modeling jobs include:

Infographic showing various Molecular Modeling job openings in the United States as of August 2026, with employment types broken down into 88% Full Time, 10% Part Time, and 2% Contract. Highlights an 85% Physical, 4% Hybrid, and 11% Remote job distribution, with an average salary of $80,687 per year, or $38.8 per hour.

Machine Learning Engineer (Molecular Design)

3B Staffing LLC

Tahoma, CA

Full-time

Posted 6 days ago


Job description

Job Title: Machine Learning Engineer (Molecular Design)
Location: Hybrid - Bay Area, CA

Job Description:
We are seeking a Machine Learning Engineer with expertise in molecular design to support cutting-edge drug discovery initiatives. The role focuses on developing and optimizing ML workflows for molecular property prediction and generative modeling to accelerate research and innovation.

Key Responsibilities:

  • Develop and implement machine learning models for molecular property prediction and generative molecular design.
  • Collaborate with cross-functional teams to integrate ML workflows into drug discovery pipelines.
  • Analyze and interpret complex molecular datasets to guide experimental design.
  • Stay up-to-date with the latest research and publications in molecular modeling and computational chemistry.

Qualifications:

  • 3-5 years of experience in machine learning, computational chemistry, or molecular modeling, or a PhD with relevant publications in molecular design.
  • Strong programming skills in Python and familiarity with ML frameworks (e.g., PyTorch, TensorFlow).
  • Hands-on experience with generative models, predictive modeling, and molecular simulations.
  • Excellent analytical, problem-solving, and communication skills.

Preferred:

  • Experience in drug discovery or pharmaceutical research environments.
  • Familiarity with cheminformatics tools and molecular libraries.