ZipRecruiter

Log In

1

Computational Drug Design Jobs in Santa Rosa, CA

LGC Group

CSV & Equipment Compliance Manager

Petaluma, CA · On-site

$97K - $146K/yr

... computational drug design and high-throughput screening to large-scale manufacturing. Our interdisciplinary teams bring together expertise in oligonucleotide chemistry, bioinformatics, molecular ...

LGC Group

CSV & Equipment Compliance Manager

Petaluma, CA · On-site

$97K - $146K/yr

... computational drug design and highthroughput screening to largescale manufacturing. Our interdisciplinary teams bring together expertise in oligonucleotide chemistry, bioinformatics, molecular ...

KenkoTech Futures

AI Scientist

Sonoma, CA · On-site

You'll collaborate with world-class AI researchers, computational biologists and experimental ... Design and implement large-scale distributed training pipelines for frontier AI models * Develop ...

KenkoTech Futures

AI Scientist

Santa Rosa, CA · On-site

You'll collaborate with world-class AI researchers, computational biologists and experimental ... Design and implement large-scale distributed training pipelines for frontier AI models * Develop ...

Buck Institute

AI Data Scientist-Furman lab

Novato, CA · On-site

$60K - $75K/yr

... help design, build, and implement computational systems that support the organization ... Drug repurposing * Network analysis and pathway enrichment * Computer vision and feature extraction ...

GO-Energy Geosciences

Postdoctoral Scholar

Bodega Bay, CA · On-site

$69K - $107K/yr

... computational thermodynamics to understand phase behavior in ionic liquids, solids, and the ... Design, fabrication, operation, troubleshooting, and repair of laboratory equipment We are looking ...

All JobsComputational Drug Design JobsComputational Drug Design Jobs in Santa Rosa, CA

Computational Drug Design information

See Santa Rosa, CA salary details

$44

$60

$80

How much do computational drug design jobs pay per hour?

As of Sep 6, 2026, the average hourly pay for computational drug design in Santa Rosa, CA is $60.05, according to ZipRecruiter salary data. Most workers in this role earn between $51.25 and $80.43 per hour, depending on experience, location, and employer.

What is computational drug design?

Computational drug design is the use of computer-based methods and simulations to discover, develop, and optimize new pharmaceutical compounds. This field combines chemistry, biology, and computer science to model how potential drug molecules interact with biological targets, such as proteins or enzymes. Techniques like molecular docking, virtual screening, and molecular dynamics are commonly used to predict the efficacy and safety of new drugs before laboratory testing. By leveraging computational tools, researchers can significantly speed up the drug discovery process and reduce costs.

What are the key skills and qualifications needed to thrive as a computational drug design scientist?

To thrive as a Computational Drug Design scientist, you need a strong background in chemistry, biology, and computer science, typically supported by an advanced degree (e.g., PhD) in a related field. Proficiency with molecular modeling software, cheminformatics tools, and programming languages such as Python or R is essential, along with familiarity with databases like PDB and software such as Schrödinger or MOE. Strong analytical thinking, problem-solving abilities, and effective communication skills help translate computational findings into actionable insights for multidisciplinary teams. These competencies are crucial for efficiently identifying promising drug candidates and supporting data-driven decision-making in pharmaceutical research.

What are some common challenges faced in a computational drug design role, and how can they be addressed?

Professionals in Computational Drug Design often encounter challenges such as managing large and complex datasets, integrating diverse software tools, and ensuring accurate modeling of biological systems. Addressing these challenges typically involves continuous learning to stay updated with the latest algorithms and software, collaborating closely with experimental scientists, and developing strong data management practices. Effective communication and teamwork are also essential, as the role frequently involves working in multidisciplinary teams to translate computational findings into actionable experimental strategies.

What is the difference between Computational Drug Design vs Medicinal Chemist?

AspectComputational Drug DesignMedicinal Chemist
Required CredentialsDegree in Chemistry, Bioinformatics, or related field; strong computational skillsDegree in Chemistry, Organic Chemistry, or related field; laboratory experience
Work EnvironmentResearch labs, pharmaceutical companies, biotech firms; primarily computer-basedLaboratories, pharmaceutical companies; hands-on chemical synthesis and analysis
Industry UsageDrug discovery, virtual screening, molecular modeling

Computational Drug Design focuses on using computer simulations and modeling to identify potential drug candidates, while Medicinal Chemists are involved in synthesizing and testing chemical compounds in the lab. Both roles are essential in the drug development process but differ in their methods and work environments.

What are popular job titles related to Computational Drug Design jobs in Santa Rosa, CA?

For Computational Drug Design jobs in Santa Rosa, CA, the most frequently searched job titles are:

What cities near Santa Rosa, CA are hiring for Computational Drug Design jobs?

Cities near Santa Rosa, CA with the most Computational Drug Design job openings:

Computational Drug Design jobs near you
Infographic showing various Computational Drug Design job openings in Santa Rosa, CA as of August 2026, with employment types broken down into 83% Full Time, 14% Part Time, and 3% Contract. Highlights an 81% Physical, 5% Hybrid, and 14% Remote job distribution, with an average salary of $124,913 per year, or $60.1 per hour.

Machine Learning Engineer

Kanak Elite Services Inc

Bodega Bay, CA • Remote

Contractor

Re-posted 22 days ago

Job description

Hello There,

My name is Himanshu Sharma, and I serve as the Recruitment Lead at Kanak-IT INC. I am reaching out to share an excellent career opportunity for the role of Machine Learning Engineer with our esteemed client. If you are interested then please share your updated resume at Himanshu01@kanakits.com .

Job Description

Title:  Machine Learning Engineer
Location:  South San Francisco, CA  - hybrid role in Bay Arear
Position Type:  Contract 
 

Note: DO NOT SEND WITHOUT MOLECULAR EXPERIENCE, 

Work on ML workflows for molecular property prediction & generative modeling to accelerate drug discovery. 3–5 yrs esp. or PhD with publications in molecular design.

Must have Masters or PH.D. Must have experience in working environment or while getting Master’s or no to very little work exp with PH.D  in Molecular design. Need to have portfolio of their work or be published. Find me Machine Learning with Molecular experience in Bay Area or someone who will relocate as last resort. 
MindSource is looking for a Machine Learning Engineer to join our client's team in South San Francisco, CA.  They will be developing and deploying advanced computational methods for molecular design.  This is a 12-month hybrid contract.  

About the Role

  • Build pipelines for probabilistic molecular property prediction and Bayesian acquisition to power active learning–driven drug discovery.
  • Engineer workflows for molecular generative modeling and other innovative design approaches.
  • Collaborate with machine learning scientists, engineers, computational chemists, and biologists.
  • Partner with therapeutic development teams to analyze existing molecules and design new candidates.
  • Contribute to ongoing initiatives while driving new research directions.

Qualifications

  • PhD in Computer Science, Chemistry, Chemical Engineering, Computational Biology, Physics, or related quantitative field — OR MS + 3+ years of relevant industry experience.
  • Demonstrated expertise in production-ready ML workflows (e.g., PyTorch + Lightning + Weights & Biases).
  • Strong track record of achievement (e.g., high-impact first-author publication or equivalent).
  • Excellent written, visual, and verbal communication skills.

Preferred Experience

  • Knowledge of physical modeling (e.g., molecular dynamics) and cheminformatics (e.g., RDKit).
  • Background in molecular property prediction, computational chemistry, de novo drug design, medicinal chemistry, small molecule design, self-supervised learning, geometric deep learning, Bayesian optimization, probabilistic modeling, or statistical methods.
  • Hands-on experience with Python, PyTorch, Torch Geometric, PyTorch Lightning, RDKit, and BoTorch.
  • Public portfolio of computational projects (e.g., GitHub).