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Chemistry Python Jobs (NOW HIRING)

Pfizer, Inc.

Senior Computational Chemist

La Jolla, CA · On-site

$106K - $176K/yr

Experience analyzing large, complex chemistry-related datasets. * Strong proficiency in Python and cheminformatics toolkits (RDKit or equivalent). * Experience with standard data science packages ...

Real Chemistry

AI Integration Engineer

Boston, MA · On-site +1

$110K - $120K/yr

At Real Chemistry, making the world a healthier place isn't just an aspiration-it's our everyday ... Experience with scripting or programming (e.g., Python, JavaScript, Ruby) * Familiarity with data ...

Pfizer

Senior Computational Chemist

La Jolla, CA · On-site +1

$106K - $176K/yr

Experience analyzing large, complex chemistry-related datasets. * Strong proficiency in Python and cheminformatics toolkits (RDKit or equivalent). * Experience with standard data science packages ...

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How much do chemistry python jobs pay per hour?

As of Jul 16, 2026, the average hourly pay for chemistry python in the United States is $58.62, according to ZipRecruiter salary data. Most workers in this role earn between $48.32 and $66.59 per hour, depending on experience, location, and employer.

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

To thrive as a Chemistry Python professional, you need a solid background in chemistry along with strong proficiency in Python programming and data analysis. Familiarity with scientific computing libraries like NumPy, pandas, RDKit, and experience with lab instrumentation software or cheminformatics platforms is commonly required. Critical thinking, problem-solving aptitude, and effective communication help you translate scientific needs into practical code solutions and facilitate team collaboration. Mastering these competencies ensures the ability to automate, analyze, and optimize chemical research and processes efficiently.

What are the typical responsibilities of a Chemistry Python specialist on a day-to-day basis?

As a Chemistry Python specialist, your daily tasks will typically involve writing and optimizing Python scripts to analyze chemical data, automate lab processes, or model molecular structures. You may also be responsible for integrating laboratory instruments with software, creating custom data visualizations, and collaborating with chemists or researchers to address experimental challenges. Regularly, you'll participate in team meetings to discuss project goals and report on analysis results, ensuring that computational approaches align with scientific objectives. This hybrid role blends hands-on coding with applied chemistry, making each day varied and collaborative.

What is a Chemistry Python job?

A Chemistry Python job involves using Python programming to analyze chemical data, develop simulations, or automate laboratory processes. Professionals in this role may work with molecular modeling, data visualization, computational chemistry, or machine learning to solve chemical problems. Industries such as pharmaceuticals, materials science, and environmental science often seek experts who can apply Python to chemistry-related challenges. Strong programming skills, knowledge of chemistry concepts, and experience with scientific libraries like RDKit, NumPy, and SciPy are typically required.

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What cities are hiring for Chemistry Python jobs? Cities with the most Chemistry Python job openings:
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Chemistry Python jobs near you
Infographic showing various Chemistry Python job openings in the United States as of July 2026, with employment types broken down into 1% Internship, 1% As Needed, 79% Full Time, 16% Part Time, 1% Temporary, and 2% Contract. Highlights an 86% Physical, 1% Hybrid, and 13% Remote job distribution, with an average salary of $121,932 per year, or $58.6 per hour.
Principal Scientist, Computational Chemistry

Principal Scientist, Computational Chemistry

Eikon Therapeutics

Millbrae, CA • On-site

$204K - $223K/yr

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Re-posted 17 days ago

Job description

Eikon Therapeutics is a new biopharmaceutical company employing revolutionary technology at the intersection of chemistry, engineering, computation, and biology to discover novel treatments for life-threatening diseases. Eikon's discovery platform is built on groundbreaking innovations from its founders (Nobel Prize, 2014), culminating in the creation of microscopes which enable real time, molecular-resolution measurements of protein movement in living cells, thereby unlocking otherwise intractable classes of proteins as drug targets.
Position
We seek a Principal Scientist in Computational Chemistry with a demonstrated ability of successfully applying in silico technologies to drive the discovery of quality lead-like molecules against hard to drug therapeutic targets. The candidate will apply AI/ML to impact library design, HTS hit identification, virtual screens, and (virtual) hit expansion efforts towards hit-to-lead across multiple projects. The role involves protein modeling, AI co-folded structure/affinity predictions, binding site/ligand-ability assessment, homology-based chemistry mining, virtual screening and purchasable compound procurement. You will daily collaborate closely with biologists, medicinal chemists, software engineers and machine learning experts. As an integral member of our growing Drug Discovery team, you will make a real and direct impact on accelerating the drug discovery process and ultimately benefiting patients.
About You
You're a computational chemistry/cheminformatics expert who loves to solve difficult problems and are not discouraged by challenges. You have a passion for drug discovery and thrive in a fast-paced, dynamic environment. You are curious, love challenges, and enjoy pushing the edge of technology to solve important problems with creative solutions. You're collaborative by nature, resourceful, open-minded, data-driven, and can operate with a sense of urgency.
What You'll Do
  • Deliver virtual screening workflows that leverage physics- and AI-based modeling methods involving ligand- and structure-based methods, ensemble docking, molecular dynamics, and free energy calculations
  • Provide computational chemistry program support across our drug discovery pipeline spanning target selection, HTS, hit identification/calling, hit to lead, and lead optimization
  • Provide guidance on the application of modern cheminformatics, ML/AI methods for library design (e.g. diversity, focused, fragment, DEL) and analyzing large datasets from HTS campaigns to building predictive models from them
  • Routinely employ expert knowledge and analysis of SAR, physiochemical and ADMET properties
  • Work alongside medicinal chemists to further triage emerging hits for synthesis/purchase
  • Collaborate closely with our data science team to integrate cutting edge AI/ML tools into our chemistry and drug discovery processes

Qualifications
  • PhD in Computational Chemistry or related discipline with +10 years of relevant experience; or Master's plus 18 years of relevant experience; or Bachelor's plus 20 years of relevant experience
  • Expertise in virtual screening, HTS triaging, hit calling, and diversity analysis
  • Expertise in computational chemistry software, such as Schrödinger Suite, Rosetta, AlphaFold, Gromacs, or similar tools
  • Expertise with physics-based methods, molecular dynamics, conformational analysis, free energy perturbation, and quantum mechanics
  • Expertise in cheminformatics data analysis, data mining and machine learning models to solve drug discovery problems
  • Experience with ligand-based design approaches, QSAR, QSPR, multiparameter optimization to rationalize SAR and design novel molecules
  • A track record of publications, patents and/or conference presentations in computational chemistry and/or drug discovery
  • Proficient in scientific programming (e.g. python, KNIME) and data analytics (Spotfire, DataWarrior, Pandas)
  • Excellent problem-solving abilities and the ability to work in a fast-paced, dynamic research environment
  • Strong communication skills with the ability to convey complex scientific concepts to both technical and non-technical stakeholders

At Eikon, employee compensation also includes bonus and equity compensation, in addition to several generous benefit programs, including:
  • 401k plan with company matching
  • Medical (premiums covered by Eikon at 95%), dental and vision insurance (premiums covered by Eikon at 100%)
  • Mental health and wellness benefits
  • Weeklong summer and winter holiday shutdowns
  • Generous paid time off and holiday policies
  • Life/AD&D Insurance (premiums covered by Eikon at 100%) and optional supplemental employee-paid life/AD&D policies
  • Enhanced parental leave benefit
  • Daily subsidized lunch program when on-site

The expected salary range for this role is $204,000 to $223,250 depending on skills, competency, and the market demand for your expertise.
Eikon is proud to be an equal opportunity employer and will consider all qualified applicants for employment.
We are currently not accepting any new third-party agencies or firms at this time. Please do not forward unsolicited agency resumes to our website, employees or Human Resources. Eikon Therapeutics will not pay fees to any third-party agency or firm associated with unsolicited resumes.

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