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Full Time Remote Computational Chemistry Jobs (NOW HIRING)

The Pennsylvania State University

Approval of remote and hybrid work is not guaranteed regardless of work location.For additional ... BENEFITS Penn State provides a competitive benefits package for full-time employees designed to ...

Chemify Ltd

Staff CADD Scientist

San Francisco, CA · On-site +1

San Francisco (hybrid) or fully remote from Boston / San Diego Travel: Regular travel to our ... You will sit at the centre of a cross-disciplinary team - computational chemists, in-house and ...

Takeda

Senior Director, AIRx Medicinal Chemistry

Boston, MA · On-site +1

$212K - $333K/yr

Partner closely with Computational Chemistry colleagues to close DMTA cycles rapidly; contribute to ... This position is currently classified as "hybrid" by Takeda's Hybrid and Remote Work policy Takeda ...

Valo Health

Staff Computational Biologist

Lexington, MA · On-site +1

$195K - $230K/yr

Our talented team of biologists, chemists and engineers, armed with advanced AI/ML tools, work ... Familiarity with the drug discovery and development process is a plus Remote Salary Range $165,750 ...

Guidehouse

Scientist

$56K - $94K/yr

This is a full-time, remote opportunity in Rockville, MD. * Perform software development to include ... as computational chemistry and structural biology. What You Will Need: * Master's degree. * A ...

Guidehouse

Scientist

$56K - $94K/yr

This is a full-time, remote opportunity in Rockville, MD. * Perform software development to include ... as computational chemistry and structural biology. What You Will Need: * Master's degree. * A ...

Mat3ra

Community Evangelist

San Francisco, CA · On-site +1

$100K - $140K/yr

This is a full-time permanent position. Responsibilities * planning and organizing marketing ... MS or PhD in Engineering, Computational Chemistry, Computational Biology, Computer Science or ...

IonQ

Senior Scientist, Quantum Applications

$145K - $191K/yr

... such as computational chemistry, optimization, and machine learning * Work with customers and ... Remote, US Travel: 10% domestic and international travel supporting customer engagements and ...

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How much do full time remote computational chemistry jobs pay per hour?

As of Jun 15, 2026, the average hourly pay for full time remote computational 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 is the difference between Full Time Remote Computational Chemistry vs Full Time Remote Chemical Data Analyst?

AspectFull Time Remote Computational ChemistryFull Time Remote Chemical Data Analyst
Required CredentialsDegree in Chemistry, Chemistry, or related field; experience with computational toolsDegree in Chemistry, Data Science, or related; proficiency in data analysis software
Work EnvironmentPrimarily research-focused, using computational models and simulationsData processing, analysis, and reporting using software tools
Industry UsagePharmaceuticals, academia, research institutionsPharmaceuticals, manufacturing, research organizations

While both roles often work remotely and require a chemistry background, computational chemists focus on modeling and simulations, whereas chemical data analysts handle data processing and interpretation. The choice depends on whether you prefer theoretical modeling or data-driven analysis within the chemistry industry.

More about Full Time Remote Computational Chemistry jobs
What are the most commonly searched types of Remote Computational Chemistry jobs? The most popular types of Remote Computational Chemistry jobs are:
What job categories do people searching Full Time Remote Computational Chemistry jobs look for? The top searched job categories for Full Time Remote Computational Chemistry jobs are:
Full Time Remote Computational Chemistry jobs near you
Infographic showing various Full Time Remote Computational Chemistry job openings in the United States as of June 2026, with employment types broken down into 3% Locum Tenens, 24% Full Time, 10% Part Time, 3% Temporary, 35% Contract, and 25% Nights. Highlights an 95% Physical, 1% Hybrid, and 4% Remote job distribution, with an average salary of $46,292 per year, or $22.3 per hour.

Principal Scientist, Computational Chemistry

Deep Apple Therapeutics

South San Francisco, CA • On-site, Remote

Full-time

Posted yesterday

Job description

About Us Deep Apple Therapeutics, part of the Apple Tree Partners (ATP) portfolio, is a Bay Area biotechnology company focused on accelerating drug discovery by integrating molecular docking and structural biology with advanced computer-aided drug design (CADD) technologies. Our state-of-the-art platform combines advanced computational modeling, large-scale compound docking, cryo-EM-based structural biology, and deep learning to drive the efficient identification and development of novel therapeutics.

Role Description We are seeking an experienced Computational Scientist to support and advance our computational initiatives in virtual hit discovery and traditional CADD for our portfolio programs. You will join a collaborative team of computational chemists, data scientists, machine learning engineers and medicinal chemists to integrate deep learning models into our drug discovery pipeline. This role will enhance our virtual screening capabilities, optimize molecular design, and facilitate cross-functional collaboration to translate computational insights into viable therapeutic leads. The ideal candidate will bring more than five years of expertise in computational modeling and proven support of drug discovery teams.

Key Responsibilities

  • Lead the implementation of virtual hit discovery, including ligand-based and structure-based modeling, on a program-by-program basis.
  • Deploy deep learning models, including generative AI for molecular design, to predict molecular properties, binding affinities, and ADMET profiles for portfolio programs.
  • Collaborate closely with biology, medicinal chemistry, and machine learning teams to validate computational predictions through iterative feedback loops to accelerate pipeline programs.
  • Drive strategic initiatives, including partnerships with academic institutions, technology companies, and CROs, to strengthen our virtual hit discovery capabilities.
  • Stay current with emerging technologies in computational chemistry and deep learning, incorporating them into our pipeline to maintain a competitive edge.
  • Manage project timelines, budgets, and resources while ensuring compliance with data integrity and intellectual property standards.

Required Qualifications and Skills

  • Ph.D. in Computational Chemistry, Cheminformatics, Bioinformatics, or a related field.
  • Minimum of 5 years of professional experience in computational modeling within the biotechnology or pharmaceutical industry, including at least 1-2 years in a computational program leadership role.
  • Strong track record in virtual hit discovery and/or CADD, with demonstrated success leading to IND-ready assets.
  • Proficiency in programming languages such as Python, with extensive experience in data analysis, machine learning pipelines, and high-performance computing.
  • Excellent communication skills, with the proven ability to translate complex technical concepts to non-expert audiences.

At Deep Apple, we value diversity, encourage professional growth, and provide competitive benefits and compensation.
Deep Apple is an equal opportunity employer. We celebrate diversity and are committed to creating an inclusive environment for all employees.

Employment Type: FULL_TIME

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