... computational molecular design through rapid, robust, and scalable software, consulting services ... Develop data-driven models using sequence and 3D molecular shape representations leveraging AI and ...
... computational molecular design through rapid, robust, and scalable software, consulting services ... Develop data-driven models using sequence and 3D molecular shape representations leveraging AI and ...
Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design
$185K - $240K/yr
Analyze and integrate data across functions to independently identify, define, and address critical ... computational methods: structure- and ligand-based design, molecular dynamics, and free energy ...
Quick apply
Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design
$185K - $240K/yr
Analyze and integrate data across functions to independently identify, define, and address critical ... computational methods: structure- and ligand-based design, molecular dynamics, and free energy ...
Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design
Boston, MA · On-site
$185K - $240K/yr
Analyze and integrate data across functions to independently identify, define, and address critical ... computational methods: structure- and ligand-based design, molecular dynamics, and free energy ...
Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design
Boston, MA · On-site
$185K - $240K/yr
Analyze and integrate data across functions to independently identify, define, and address critical ... computational methods: structure- and ligand-based design, molecular dynamics, and free energy ...
Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design
Boston, MA · On-site
$185K - $240K/yr
Analyze and integrate data across functions to independently identify, define, and address critical ... computational methods: structure- and ligand-based design, molecular dynamics, and free energy ...
Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design
Boston, MA · On-site
$185K - $240K/yr
Analyze and integrate data across functions to independently identify, define, and address critical ... computational methods: structure- and ligand-based design, molecular dynamics, and free energy ...
... computational molecular design through rapid, robust, and scalable software, consulting services ... Develop data-driven models using sequence and 3D molecular shape representations leveraging AI and ...
... computational molecular design through rapid, robust, and scalable software, consulting services ... Develop data-driven models using sequence and 3D molecular shape representations leveraging AI and ...
... design problem, proposes molecules, helps interpret data, and contributes tools that make the ... Work with internal or external engineering and data science teams to integrate chemical, biological ...
... design problem, proposes molecules, helps interpret data, and contributes tools that make the ... Work with internal or external engineering and data science teams to integrate chemical, biological ...
... computational molecular design through rapid, robust, and scalable software, consulting services ... Develop data-driven models using sequence and 3D molecular shape representations leveraging AI and ...
... computational molecular design through rapid, robust, and scalable software, consulting services ... Develop data-driven models using sequence and 3D molecular shape representations leveraging AI and ...
... design problem, proposes molecules, helps interpret data, and contributes tools that make the ... Work with internal or external engineering and data science teams to integrate chemical, biological ...
... design problem, proposes molecules, helps interpret data, and contributes tools that make the ... Work with internal or external engineering and data science teams to integrate chemical, biological ...
Senior Associate Scientist, Molecular Data
Springfield, VA · On-site
$120K - $182K/yr
... design and wet-lab experimentation that rapidly improve our understanding of biochemical ... Required Qualifications * BS/MS in Cheminformatics, Computational Chemistry, data science, or a ...
Senior Associate Scientist, Molecular Data
Springfield, VA · On-site
$120K - $182K/yr
... design and wet-lab experimentation that rapidly improve our understanding of biochemical ... Required Qualifications * BS/MS in Cheminformatics, Computational Chemistry, data science, or a ...
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Boston, MA · On-site
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Boston, MA · On-site
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Boston, MA · Hybrid
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Boston, MA · Hybrid
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Boston, MA · On-site
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Boston, MA · On-site
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Boston, MA · On-site
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Boston, MA · On-site
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
$144K - $217K/yr
... Design group in Boston. This individual will be responsible for contributing to both hit/lead ... molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate ...
Senior Principal Scientist, Applied AI & Agentic Systems for Small-Molecule Drug Discovery
Boston, MA · Hybrid
Expertise in one or more of the following areas: computational chemistry, cheminformatics, molecular design, machine learning, scientific data science, or computational drug discovery with a proven ...
Senior Principal Scientist, Applied AI & Agentic Systems for Small-Molecule Drug Discovery
Boston, MA · Hybrid
Expertise in one or more of the following areas: computational chemistry, cheminformatics, molecular design, machine learning, scientific data science, or computational drug discovery with a proven ...
Senior Principal Scientist, Applied AI & Agentic Systems for Small-Molecule Drug Discovery
Boston, MA · On-site
Expertise in one or more of the following areas: computational chemistry, cheminformatics, molecular design, machine learning, scientific data science, or computational drug discovery with a proven ...
Senior Principal Scientist, Applied AI & Agentic Systems for Small-Molecule Drug Discovery
Boston, MA · On-site
Expertise in one or more of the following areas: computational chemistry, cheminformatics, molecular design, machine learning, scientific data science, or computational drug discovery with a proven ...
Scientist II / Senior ML Scientist, Data-Efficient Learning for Drug Discovery
Cambridge, MA · On-site
... and molecular optimization. * Design data acquisition strategies that identify which compounds ... Ability to collaborate across ML, data, computational science, experimental, and drug discovery ...
Scientist II / Senior ML Scientist, Data-Efficient Learning for Drug Discovery
Cambridge, MA · On-site
... and molecular optimization. * Design data acquisition strategies that identify which compounds ... Ability to collaborate across ML, data, computational science, experimental, and drug discovery ...
... data science to create new therapeutic modalities beyond traditional small molecules. FL111 is ... Molecular Design & Optimization: Define the strategic vision for and drive the design of ...
... data science to create new therapeutic modalities beyond traditional small molecules. FL111 is ... Molecular Design & Optimization: Define the strategic vision for and drive the design of ...
... data science to create new therapeutic modalities beyond traditional small molecules. FL111 is ... Molecular Design & Optimization: Define the strategic vision for and drive the design of ...
... data science to create new therapeutic modalities beyond traditional small molecules. FL111 is ... Molecular Design & Optimization: Define the strategic vision for and drive the design of ...
Their work supports the design and advancement of compounds, materials, and formulations with ... data science approaches to medicinal chemistry, drug discovery, and molecular optimization.
Their work supports the design and advancement of compounds, materials, and formulations with ... data science approaches to medicinal chemistry, drug discovery, and molecular optimization.
Computational Molecular Design Data Science information
See salary details
$16K - $31.9K
6% of jobs
$31.9K - $47.8K
0% of jobs
$47.8K - $63.7K
0% of jobs
$63.7K - $79.6K
0% of jobs
$79.6K - $95.5K
3% of jobs
$95.5K - $111.5K
1% of jobs
$111.5K - $127.4K
2% of jobs
$127.4K - $143.3K
8% of jobs
$145K is the 25th percentile. Wages below this are outliers.
$143.3K - $159.2K
38% of jobs
$168K is the 75th percentile. Wages above this are outliers.
$159.2K - $175.1K
30% of jobs
$175.1K - $191K
11% of jobs
$16K
$148.2K
$191K
How much do computational molecular design data science jobs pay per year?
As of Sep 11, 2026, the average yearly pay for computational molecular design data science in the United States is $148,233.00, according to ZipRecruiter salary data. Most workers in this role earn between $145,500.00 and $167,500.00 per year, depending on experience, location, and employer.
What are popular job titles related to Computational Molecular Design Data Science jobs?
For Computational Molecular Design Data Science jobs, the most frequently searched job titles are:
Lead Scientific Developer - Biologics & Protein Design
Santa Fe, NM • On-site
Cadence Design Systems Inc.
• Software Development • 5 - 10K employees5,001 - 10,000 employees
Full-time
Re-posted 19 days ago
Key responsibilities
Develop highly scalable and integrated solutions for biologics drug discovery in the cloud.
Work on challenging problems and help find practical solutions that advance the field of computational biologics drug discovery.
Collaborate with colleagues and industry partners to develop new methods, tools, and solutions related to biomolecular modeling and protein informatics.
Cadence Design Systems rating
9.0
Based on 5 frontline employees who took The Breakroom Quiz
Job description
At Cadence, we hire and develop leaders and innovators who want to make an impact on the world of technology.
This Position is On-site in our Santa Fe, NM Office
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. OpenEye, Cadence Molecular Sciences is headquartered in Santa Fe, N.M., with offices in Boston, Mass.; Cologne, Germany; and Tokyo, Japan.
We are looking for a lead scientific software developer to join a growing team of experts working on biologics and protein design. The highly focused team will work together to drive forward technologies which leverage AI and OpenEye's long standing 3D modeling capabilities in our cloud platform, Orion. The team's guiding principle is to deliver solutions that better enable scientists in the pharmaceutical and biotech industries to develop next generation biologic medicines.
This Position is On-site in our Santa Fe, NM Office
What you'll do:
- Work on challenging problems and help find practical solutions that advance the field of computational biologics drug discovery
- Develop highly scalable and integrated solutions for biologics drug discovery in the cloud
- Develop data-driven models using sequence and 3D molecular shape representations leveraging AI and physics-based approaches
- Expand OpenEye's biomolecular modeling and protein informatics technologies
- Collaborate with great colleagues within our group, within OpenEye & Cadence, as well as within the broader pharmaceutical industry on developing new methods, tools, and solutions
What you should have:
- This Position is On-site in our Santa Fe, NM Office
- PhD (or equivalent experience) in computational chemistry, structural biology, biochemistry, or related field with a least 5 years relevant experience
- Strong desire to change the field of biologics drug discovery through hard work, creating robust software tools, and critical scientific evaluation.
- Demonstrated ability to work both independently and as part of a team. Ability to work humbly with others, admitting mistakes and constructively working through differences in opinion.
- Experience with molecular dynamics simulations and machine learning
- Programming expertise, ideally in Python, preferably with experience using AI coding agents
- Proven track record of delivering software solutions
The following are a PLUS, but not required:
- Expertise with traditional machine learning and/or modern deep learning methods
- Experience with OpenEye software/toolkits or other computational chemistry toolkits
- Experience with protein language models and protein folding technologies
- Experience with modeling antibodies based on sequence and structural data
About Cadence Design Systems
Sourced by ZipRecruiter
Industry
Software development
Company size
5,001 - 10,000 Employees
Headquarters location
San Jose, CA, US
Year founded
1988