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Chemistry Python Jobs in California (NOW HIRING)

General Matter

Applied AI Engineer

Los Angeles, CA · On-site

Required : • BS or higher in engineering, physics, chemistry, applied math, or related technical field. • Proficiency in Python and software engineering fundamentals. • Experience building ...

Mat3ra

Head of Engineering

Walnut Creek, CA · On-site

$130K - $200K/yr

Overview We look for Senior Engineers excited about bridging the gap between materials/chemistry ... Python (advanced) * Linux/RedHat/Bash (advanced) * AWS/Azure/GCP (advanced) * Docker/Vagrant ...

Mat3ra

Cloud HPC Engineer

Walnut Creek, CA · On-site +1

$130K - $200K/yr

Python (advanced) * Linux/RedHat/Bash (advanced) * AWS/Azure/GCP (advanced) * OpenMP/MPI/CUDA ... of chemistry/materials science * work with advanced electronic structure codes (VASP, Quantum ...

Mat3ra

☁ Cloud HPC Engineer ☁

Walnut Creek, CA · On-site

$130K - $200K/yr

Python (advanced) * Linux/RedHat/Bash (advanced) * AWS/Azure/GCP (advanced) * OpenMP/MPI/CUDA ... of chemistry/materials science * work with advanced electronic structure codes (VASP, Quantum ...

Mat3ra

Head of Engineering

Walnut Creek, CA · On-site +1

$130K - $200K/yr

Overview We look for Senior Engineers excited about bridging the gap between materials/chemistry ... Python (advanced) * Linux/RedHat/Bash (advanced) * AWS/Azure/GCP (advanced) * Docker/Vagrant ...

Mat3ra

☁ Cloud HPC Engineer ☁

Walnut Creek, CA · On-site

$130K - $200K/yr

Python (advanced) * Linux/RedHat/Bash (advanced) * AWS/Azure/GCP (advanced) * OpenMP/MPI/CUDA ... of chemistry/materials science * work with advanced electronic structure codes (VASP, Quantum ...

Octant Bio

Analytical Chemistry Scientist

Emeryville, CA

$135K - $155K/yr

Analyze and develop methods to interpret complex analytical data using R, python, and/or other ... A PhD in Analytical Chemistry, Biochemistry, Chemistry, Chemical Biology or a related discipline ...

New

Octant Bio

Analytical Chemistry Scientist

Emeryville, CA · On-site

$135K - $155K/yr

Analyze and develop methods to interpret complex analytical data using R, python, and/or other ... A PhD in Analytical Chemistry, Biochemistry, Chemistry, Chemical Biology or a related discipline ...

New

Satomic

Senior Software Engineer

San Diego, CA · On-site

$130K - $171K/yr

The medicinal chemists, computational scientists, and generative-model-driven design teams will ... Python on the backend and TypeScript/React on the frontend, with the freedom to reach for the right ...

Chemify Ltd

Staff CADD Scientist

San Francisco, CA · On-site +1

Chemify is revolutionising chemistry. We are creating a future where the synthesis of previously ... Strong Python and at least one core cheminformatics toolkit (e.g. RDKit, OpenEye); real experience ...

Albert Invent

Staff AI/ML Platform Engineer

Oakland, CA · On-site

Albert's mission is to digitalize the world of chemistry. Using data and machine learning, Albert ... Design and build high-performance Python APIs that serve models, manage workflows, and expose AI ...

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How much do chemistry python jobs pay per hour?

As of Aug 6, 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 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 does a Chemistry Python do?

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?

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 popular job titles related to Chemistry Python jobs in California? For Chemistry Python jobs in California, the most frequently searched job titles are:
What job categories do people searching Chemistry Python jobs in California look for? The top searched job categories for Chemistry Python jobs in California are:
Chemistry Python jobs near you
Infographic showing various Chemistry Python job openings in California as of August 2026, with employment types broken down into 56% Part Time, and 44% Contract. Highlights an 100% In-person job distribution, with an average salary of $120,336 per year, or $57.9 per hour.

Computational Chemist - Generative Molecule & Protein Design

F. Hoffmann-La Roche Ltd

Santa Clara, CA • On-site

$145K - $269K/yr

Full-time

This job post has expired 1 day ago. Applications are no longer accepted.

Job description

At Roche you can show up as yourself, embraced for the unique qualities you bring. Our culture encourages personal expression, open dialogue, and genuine connections, where you are valued, accepted and respected for who you are, allowing you to thrive both personally and professionally. This is how we aim to prevent, stop and cure diseases and ensure everyone has access to healthcare today and for generations to come. Join Roche, where every voice matters.
The Position
A healthier future. It's what drives us to innovate. To continuously advance science and ensure everyone has access to the healthcare they need today and for generations to come. Creating a world where we all have more time with the people we love. That's what makes us Roche.
At Roche Sequencing Solutions, we are building the next generation of sequencing and diagnostic platforms powered by advanced computation and AI. As part of our Computational Science & Informatics Chapter, you will sit at the intersection of computational chemistry, structural biology, and applied AI to directly impact real-world commercial instruments and R&D workflows.
The Opportunity
You will join an innovative, collaborative environment where you will:
  • Drive Molecular & Protein Design: Build and run structure-based and ligand-based virtual screening workflows to find new substrates, cofactors, and small molecules for our sequencing and biocatalysis platforms.
  • Enzyme Modeling & De Novo Design: Perform advanced structural modeling and molecular docking simulations on natural and engineered enzyme variants, with a heavy focus on optimizing multi-ligand binding pathways. Lead in silico de novo enzyme design, creating novel protein scaffolds and active sites tailored for multi-ligand binding, optimal catalysis, and enhanced structural stability.
  • Simulate Molecular Dynamics: Explore conformational changes, reaction mechanisms, transition states, and electronic structures using advanced physics-based modeling and quantum chemistry tools.
  • Use Computational Tools: Analyze and optimize biopolymers and biomimetic polymers, leveraging rich internal datasets to design new derivatives and tune properties relevant to sequencing and diagnostic performance.
  • Advance Generative AI Pipelines: Develop and scale generative workflows (including Transformers, GNNs, and diffusion models) for property-guided molecule generation and Computer-Aided Synthesis Planning (CASP).
  • Collaborate for Impact: Partner closely with experimental wet-lab biochemists, protein engineers, and synthetic chemists to turn computational insights into real-world experiments.
  • Pilot Emerging Technologies: Scout and implement cutting-edge tools from the literature and the vibrant local AI ecosystem into production-grade workflows.

Who You Are
You are a curious, collaborative, and driven scientist who loves combining physics-based modeling with modern machine learning to solve complex biological puzzles. You explain complex models clearly to diverse teams, value reproducible research, and are excited to co-design experiments that bridge the digital and physical worlds.
  • You have a a Ph.D. Computational Chemistry, Biochemistry, Biophysics, Structural Biology, or a highly quantitative related field or a Master's degree in Computational Chemistry, Biochemistry with 2 years of related experience or Bachelors with 3 years of related experience.
  • You have a 1+ years of intensive research experience (academic or industry) focused on protein modeling, molecular design, virtual screening, or AI/ML for molecules.
  • You have hands-on experience with docking tools, molecular dynamics packages (such as GROMACS, AMBER, or OpenMM), and quantum chemistry tools.
  • You are proficient in Python (NumPy, SciPy, Pandas, PyTorch) combined with practical experience using RDKit for cheminformatics and developing generative molecular models.
  • You have a strong grasp of enzyme kinetics, binding thermodynamics, transition-state theory, and how synthetic modifications alter macromolecular structures.

The expected salary range for this position is based on the primary location of Santa Clara, CA is $145,300 - $269,800 Annual. Actual pay will be determined based on experience, qualifications, geographic location, and other job-related factors permitted by law. A discretionary annual bonus may be available based on individual and Company performance.
This position also qualifies for the benefits detailed here: Benefits
Relocation benefits are not available for this position
Where pay transparency applies, details are provided based on the primary posting location. For this role, the primary location is Santa Clara. If you are interested in additional locations where the role may be available, we will provide the relevant compensation details later in the hiring process.
Who we are
A healthier future drives us to innovate. Together, more than 100'000 employees across the globe are dedicated to advance science, ensuring everyone has access to healthcare today and for generations to come. Our efforts result in more than 26 million people treated with our medicines and over 30 billion tests conducted using our Diagnostics products. We empower each other to explore new possibilities, foster creativity, and keep our ambitions high, so we can deliver life-changing healthcare solutions that make a global impact.
Let's build a healthier future, together.
Roche is an equal opportunity employer. It is our policy and practice to employ, promote, and otherwise treat any and all employees and applicants on the basis of merit, qualifications, and competence. The company's policy prohibits unlawful discrimination, including but not limited to, discrimination on the basis of Protected Veteran status, individuals with disabilities status, and consistent with all federal, state, or local laws.
If you have a disability and need an accommodation in relation to the online application process, please contact us by completing this form Accommodations for Applicants.

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