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Cheminformatics Scientist Jobs (NOW HIRING)

Cadence Design Systems Inc.

$101K - $188K/yr

OpenEye, Cadence Molecular Sciences - a division of Cadence Design Systems - is an industry leader ... Apply chemistry/cheminformatics expertise with ML experts to build robust, scalable models to ...

1910

AI Research Scientist I

Boston, MA · On-site

Work cross-functionally with scientific colleagues, being a subject matter expert in how AI and Machine Learning can be used to answer cheminformatics and bioinformatics questions * Keep up-to-date ...

Topos Bio

Computational Chemist

San Francisco, CA · On-site

... scientists. What you will do * Develop scalable workflows to generate and screen thousands of ... Build and optimize cheminformatics pipelines for compound filtering, property prediction ...

Lilly

CADD Postdoctoral Scientist

Indianapolis, IN · On-site

$58K - $123K/yr

Eli Lilly and Company | EMD C3 - Early Molecule Discovery Position Overview Eli Lilly's EMD C3 (Computational Chemistry & Cheminformatics) group is seeking a Postdoctoral Scientist to advance Synth ...

1910

AI Research Scientist I

Boston, MA

Work cross-functionally with scientific colleagues, being a subject matter expert in how AI and Machine Learning can be used to answer cheminformatics and bioinformatics questions * Keep up-to-date ...

1910

AI Research Scientist III

Boston, MA · On-site

Work cross-functionally with scientific colleagues, being a subject matter expert in how AI and Machine Learning can be used to answer cheminformatics and bioinformatics questions * Keep up-to-date ...

1910

AI Research Scientist II

Boston, MA · On-site

Work cross-functionally with scientific colleagues, being a subject matter expert in how AI and Machine Learning can be used to answer cheminformatics and bioinformatics questions * Keep up-to-date ...

Lilly

CADD Postdoctoral Scientist

Boston, MA · On-site

$58K - $123K/yr

Eli Lilly and Company | EMD C3 - Early Molecule Discovery Position Overview Eli Lilly's EMD C3 (Computational Chemistry & Cheminformatics) group is seeking a Postdoctoral Scientist to advance Synth ...

1910

AI Research Scientist II

Boston, MA · On-site

Work cross-functionally with scientific colleagues, being a subject matter expert in how AI and Machine Learning can be used to answer cheminformatics and bioinformatics questions * Keep up-to-date ...

Inductive Bio

Product Scientist

New York, NY · On-site

$180K - $220K/yr

Broad technical range across cheminformatics, structure/physics-based modeling, ML, and DMPK. We ... Deep scientific training in a relevant field is expected; the specific degree matters less than ...

Chemify Ltd

Staff CADD Scientist

San Francisco, CA · On-site +1

This gives our computational scientists something rare: a direct, high-throughput bridge from in ... Strong Python and at least one core cheminformatics toolkit (e.g. RDKit, OpenEye); real experience ...

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Cheminformatics Scientist information

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How much do cheminformatics scientist jobs pay per hour?

As of Jun 21, 2026, the average hourly pay for cheminformatics scientist in the United States is $62.21, according to ZipRecruiter salary data. Most workers in this role earn between $47.84 and $78.12 per hour, depending on experience, location, and employer.

What is a Cheminformatics Scientist job?

A Cheminformatics Scientist applies computational techniques to analyze chemical data, aiding in drug discovery, materials science, and molecular modeling. They use machine learning, data science, and cheminformatics tools to predict molecular properties, optimize compounds, and manage chemical databases. Their work bridges chemistry, computer science, and biology to accelerate research and innovation in pharmaceutical and materials industries.

What are the key skills and qualifications needed to thrive in the Cheminformatics Scientist position, and why are they important?

To thrive as a Cheminformatics Scientist, you need a strong background in chemistry, molecular biology, data analysis, and computational modeling, typically supported by an advanced degree in chemistry, bioinformatics, or a related field. Familiarity with software tools such as KNIME, Pipeline Pilot, RDKit, and programming languages like Python or R is highly valued, along with experience working with chemical databases. Strong problem-solving skills, attention to detail, collaboration, and the ability to communicate complex concepts to multidisciplinary teams are essential soft skills. These qualifications ensure that you can efficiently analyze chemical data, contribute to research projects, and work productively in dynamic scientific environments.

What are some typical projects or daily tasks for a Cheminformatics Scientist?

As a Cheminformatics Scientist, your daily work often involves processing and analyzing chemical and biological data, using computational techniques to support drug discovery, and developing predictive models for molecular properties. You may collaborate with medicinal chemists, biologists, and data scientists to design and interpret experiments or to integrate diverse datasets. Additionally, you might be tasked with maintaining or updating chemical databases and building custom algorithms or tools to address specific research questions. This role offers the opportunity to engage in innovative projects that directly impact the advancement of pharmaceutical or materials science research.

More about Cheminformatics Scientist jobs
What cities are hiring for Cheminformatics Scientist jobs? Cities with the most Cheminformatics Scientist job openings:
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Cheminformatics Scientist jobs near you
Infographic showing various Cheminformatics Scientist job openings in the United States as of June 2026, with employment types broken down into 17% As Needed, and 83% Part Time. Highlights an 90% Physical, 3% Hybrid, and 7% Remote job distribution, with an average salary of $129,403 per year, or $62.2 per hour.
Scientific Software Developer II - Modeler

Scientific Software Developer II - Modeler

Cadence Design Systems Inc.

On-site, Remote

$101K - $188K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 4 days ago

Job description

At Cadence, we hire and develop leaders and innovators who want to make an impact on the world of technology.

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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