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Chemistry Python Jobs in California (NOW HIRING)

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Computational Chemist

San Francisco, CA · On-site

Stay up to date with the latest research and breakthroughs in computational chemistry, generative ... Expert coding in at least one language (Python preferred) * Familiarity with HPC cluster or cloud ...

Meta

AI Research Engineer, FAIR Chemistry

San Francisco, CA · On-site

$121.99K - $181K/yr

Meta is seeking a researcher to join the Fundamental AI Research (FAIR) Chemistry team, a research ... Python or similar programming languages • Currently has, or is in the process of obtaining a ...

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How much do chemistry python jobs pay per hour?

As of Jun 1, 2026, the average hourly pay for chemistry python in California is $57.85, according to ZipRecruiter salary data. Most workers in this role earn between $47.69 and $65.72 per hour, depending on experience, location, and employer.

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.

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.
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Chemistry Python jobs near you

Senior Scientist: Cheminformatics & Computational Chemistry

Globalchannelmanagement

South San Francisco, CA • On-site, Remote

$110K - $150.20K/yr

Full-time

Posted 19 days ago

Job description

Senior Scientist: Cheminformatics & Computational Chemistry needs 10 years' experience

Senior Scientist: Cheminformatics & Computational Chemistry requires:

Hybrid

PhD or MS in Cheminformatics, Computational Chemistry, Medicinal Chemistry, or related field

Strong understanding of small molecule drug discovery workflows

Demonstrated expertise in: o Substructure and similarity search (fingerprints, graph-based, embedding-based) o Shape and pharmacophore searching o Reaction-based and fragment-based enumeration o Docking and structure-based design o QSAR and ligand-based modeling o Active learning and iterative design strategies o Physics-based simulations (e.g., MD, FEP)

Hands-on experience with tools such as: o RDKit, OpenEye, or equivalent o Docking platforms (e.g., Glide, AutoDock, GOLD)

Strong programming skills in Python Preferred Qualifications

Experience working with ultra-large chemical libraries (e.g., Enamine REAL, WuXi Galaxy)

Familiarity with generative chemistry approaches (SMILES-, graph-, or diffusion-based models) Experience integrating ML models into production workflows

Experience with workflow orchestration tools (e.g., Airflow, Nextflow)

Senior Scientist: Cheminformatics & Computational Chemistry duties:

End-to-End Workflow Development

Design and implement workflows spanning: o Virtual screening (ligand-based and structure-based) o Hit identification and hit expansion o Hit-to-lead selection o Lead optimization Method Development & Application Apply and integrate core computational chemistry and cheminformatics methods, including: o Ultra-large library search:

§ Substructure search

§ Fingerprint and embedding-based similarity search

§ Shape and pharmacophore-based screening o Molecular enumeration: § Reaction-based enumeration § Fragment-based design and expansion o Ligand-based modeling: § QSAR, similarity, clustering, active learning loops o Structure-based modeling: § Docking, rescoring, pose prediction, structure-aware search o Physics-based methods: § Molecular dynamics (MD) § Free energy perturbation (FEP) and related approaches Cross-functional Collaboration

Partner with: o Machine Learning teams to integrate predictive and generative models o Software Engineering teams to productionize workflows and ensure scalability o Scientific stakeholders to align workflows with drug discovery needs