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Machine Learning Chemistry Jobs in Berkeley, CA (NOW HIRING)

Menlo Ventures

ML & Molecular Simulation Scientist

San Mateo, CA · On-site

$110 - $150/hr

  • Medical

  • Dental

  • Vision

  • Retirement

  • PTO

We conduct fundamental research at the intersection of machine learning, physics, and computational chemistry, pushing the boundaries of each field. Simulation and machine learning are deeply ...

New

NobleAI

Senior Applied AI/ML Scientist

San Francisco, CA · On-site +1

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

  • PTO

By combining physics and chemistry expertise with advanced machine learning, our platform improves resource recovery, asset performance, and product quality. We serve companies that rely on precise ...

NobleAI

Senior Applied AI/ML Scientist

San Francisco, CA · On-site

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

  • PTO

By combining physics and chemistry expertise with advanced machine learning, our platform improves resource recovery, asset performance, and product quality. We serve companies that rely on precise ...

NobleAI

Senior Applied AI/ML Scientist

San Francisco, CA · Remote

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

  • PTO

By combining physics and chemistry expertise with advanced machine learning, our platform improves resource recovery, asset performance, and product quality. We serve companies that rely on precise ...

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Showing results 41-60

All JobsMachine Learning Chemistry JobsMachine Learning Chemistry Jobs in Berkeley, CA

Machine Learning Chemistry information

See Berkeley, CA salary details

$16

$27

$39

How much do machine learning chemistry jobs pay per hour?

As of Aug 19, 2026, the average hourly pay for machine learning chemistry in Berkeley, CA is $27.25, according to ZipRecruiter salary data. Most workers in this role earn between $22.36 and $30.00 per hour, depending on experience, location, and employer.

What is a machine learning chemistry?

A Machine Learning Chemistry job involves using artificial intelligence techniques to analyze chemical data, model molecular behaviors, and accelerate discoveries in chemistry-related fields. Professionals in this role develop and apply machine learning algorithms to predict chemical properties, optimize reactions, and assist in drug design, material science, and other applications. They typically work in pharmaceuticals, materials science, or environmental chemistry, collaborating with chemists, data scientists, and engineers to solve complex chemical problems efficiently.

What does a machine learning chemistry do?

Professionals in Machine Learning Chemistry often work on projects such as developing predictive models for chemical property analysis, optimizing molecular structures, or advancing drug discovery through data-driven methods. Daily tasks may include data preprocessing, building and training machine learning models, validating results, and interpreting outcomes in collaboration with experimental chemists. Teamwork is common, with regular interactions between chemistry researchers, data scientists, and software engineers. This structure allows for iterative feedback and ensures that computational models align with practical lab needs. Continuous learning and adaptation are also key, as both the chemistry and machine learning fields are rapidly evolving.

What are the key skills and qualifications needed to thrive in machine learning chemistry?

To thrive in a Machine Learning Chemistry role, you need a solid background in chemistry, expertise in data science and machine learning algorithms, and typically an advanced degree in chemistry, computer science, or a related field. Familiarity with programming languages like Python or R and experience working with cheminformatics tools and machine learning frameworks (such as TensorFlow or scikit-learn) are essential. Strong analytical thinking, problem-solving abilities, and effective communication skills enable professionals to bridge the gap between computational work and experimental research teams. These competencies are crucial for developing innovative solutions in chemical research and ensuring successful collaboration across interdisciplinary teams.

What are popular job titles related to Machine Learning Chemistry jobs in Berkeley, CA?

For Machine Learning Chemistry jobs in Berkeley, CA, the most frequently searched job titles are:

What job categories do people searching Machine Learning Chemistry jobs in Berkeley, CA look for?

The top searched job categories for Machine Learning Chemistry jobs in Berkeley, CA are:

What cities near Berkeley, CA are hiring for Machine Learning Chemistry jobs?

Cities near Berkeley, CA with the most Machine Learning Chemistry job openings:

Machine Learning Chemistry jobs near you
Infographic showing various Machine Learning Chemistry job openings in Berkeley, CA as of August 2026, with employment types broken down into 4% Internship, 74% Full Time, 18% Part Time, and 4% Nights. Highlights an 100% In-person job distribution, with an average salary of $56,682 per year, or $27.3 per hour.

Principal Scientist, Computational Chemistry

Eikon Therapeutics

Millbrae, CA • On-site

$204K - $246K/yr

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Re-posted 21 days ago

Job description

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 Schrodinger 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 $246,750 depending on skills, competency, and the market demand for your expertise.

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