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Molecular Modeling Jobs (NOW HIRING)

OpenEye Scientific

$101K - $188K/yr

... molecular modeling platform. Combining unlimited computation and storage with powerful tools for data sharing, visualization and analysis in a customizable development platform, Orion offers ...

MSD

Senior Configuration Engineer (Hybrid)

Rahway, NJ

$124K - $164K/yr

S. in Computer Science, Data Science, Molecular Modeling, Engineering, Chemistry, Physics, Biology, Pharmaceutical Sciences, or a closely-related field with at least 2 years of industrial ...

Topos Bio

Computational Chemist

San Francisco, CA · On-site

Experience with molecular modeling, simulation, and generative drug design * Proficiency with common computational biophysics software (e.g. AMBER, GROMACS, OpenMM, PLUMED, Schrödinger, OpenEye)

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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 Jul 2, 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 job?

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 typical career advancement opportunities for someone in a Molecular Modeling position?

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.

What are the key skills and qualifications needed to thrive in the Molecular Modeling position, 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.

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:
What job categories do people searching Molecular Modeling jobs look for? The top searched job categories for Molecular Modeling jobs are:
Molecular Modeling jobs near you
Infographic showing various Molecular Modeling job openings in the United States as of June 2026, with employment types broken down into 85% Full Time, 12% Part Time, and 3% Contract. Highlights an 85% Physical, 3% Hybrid, and 12% Remote job distribution, with an average salary of $80,687 per year, or $38.8 per hour.
Scientific Software Developer II - Modeler

Scientific Software Developer II - Modeler

OpenEye Scientific

On-site, Remote

$101K - $188K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 15 days ago

Job description

Over the last eight years, OpenEye, Cadence Molecular Sciences has developed the field's most advanced large-scale compute platform, Orion, built on Amazon Web Services. In this position, you will be working at the cutting edge of cloud computing, C++/Python development, and advanced MD simulation techniques. Your work will have the potential to make a major impact in drug discovery, and will be available to many pharmaceutical and biotech companies.

OpenEye, Cadence Molecular Sciences- a division of Cadence Design Systems - is an industry leader in computational molecular design through rapid, robust, and scalable software, consulting services, and Orion, the only cloud-native fully integrated software-as-a-service molecular modeling platform. Combining unlimited computation and storage with powerful tools for data sharing, visualization and analysis in a customizable development platform, Orion offers unprecedented capabilities for the advancement of pharmaceuticals, biologics, agrochemicals, and flavors and fragrances.

We are looking for a Computational Chemist/Cheminformatician to join our team of experts in mathematics, computational modeling, and medicinal chemistry. This highly focused team will work together to drive forward technology which leverages OpenEye's Orion platform to better enable scientists in the pharmaceutical industry working on projects from lead development to clinical candidate selection. This role will require interactions with customers and OpenEye's scientific and technical teams.

What you'll do:

  • Extend OpenEye's programming toolkits by developing and implementing new and useful scientific and technical features to aid customers in developing bespoke solutions.
  • Explore methods for further enhancing OpenEye's virtual screening platform (including OMEGA, ROCS, FastROCS, ROCS X, OEDocking).
  • Apply chemistry/cheminformatics expertise with ML experts to build robust, scalable models to support data-driven decision making.
  • Work on retrospective and prospective projects both internally and with collaborators to validate methodologies.
  • Work with Orion project team to further optimize compound design workflows in Orion.

What you should have:

  • PhD (or equivalent experience) in computational chemistry, chemistry, cheminformatics, or related field with 0 - 3 years relevant experience
  • Knowledge of some traditional computational chemistry approaches such as docking, virtual screening, molecular modeling, etc.
  • Programming expertise, ideally in c++ and/or python preferably with experience using AI coding agents
  • Experience in or desire to learn about the pharmaceutical industry
  • Strong desire to find practical solutions to challenging problems
  • Demonstrated ability to work both as part of a team and independently

The following are a PLUS, but not required:

  • Experience with OpenEye software/toolkits
  • Experience with synthetically accessible, pharmaceutically relevant generative chemistry

The annual salary range for Massachusetts is $101,500 to $188,500. You may also be eligible to receive incentive compensation: bonus, equity, and benefits. Sales positions generally offer a competitive On Target Earnings (OTE) incentive compensation structure. Please note that the salary range is a guideline and compensation may vary based on factors such as qualifications, skill level, competencies and work location. Our benefits programs include: paid vacation and paid holidays, 401(k) plan with employer match, employee stock purchase plan, a variety of medical, dental and vision plan options, and more.

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