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Senior Machine Learning Chemistry Jobs (NOW HIRING)

Canopy

Senior Machine Learning Engineer

Detroit, MI

$95K - $131K/yr

Senior Machine Learning Engineer As a Senior Machine Learning Engineer within the AI Squad at Canopy and reporting to the Director of AI Engineering, you'll contribute to the development of cutting ...

Ascentt

Senior Machine Learning Engineer

Ann Arbor, MI

$102K - $140K/yr

Senior Machine Learning Engineer Ascentt is building cutting-edge data analytics & AI/ML solutions for global automotive and manufacturing leaders. We turn enterprise data into real-time decisions ...

Expedia

Senior Machine Learning Scientist

San Jose, CA · On-site +1

$107K - $146K/yr

Senior Machine Learning Scientist The Senior Machine Learning Scientist is responsible for building and evaluating GenAI- and LLM-powered solutions and AI agents that improve post-booking customer ...

Expedia

Senior Machine Learning Scientist

Seattle, WA · On-site +1

$104K - $142K/yr

Senior Machine Learning Scientist The Senior Machine Learning Scientist is responsible for building and evaluating GenAI- and LLM-powered solutions and AI agents that improve post-booking customer ...

The Marlin Alliance

Sr Machine Learning Engineer

San Diego, CA · On-site

$110K - $152K/yr

Senior Machine Learning Engineer The Marlin Alliance, Inc. is seeking a talented and experienced Senior Machine Learning Engineer to join our team. The successful candidate will be expected to design ...

Button

Senior Machine Learning Engineer

Manhattan, NY

$153K - $198K/yr

Senior Machine Learning Engineer Button's mission is to empower the companies shaping the creator and affiliate economy - fueling mobile growth with innovation and new paths to monetization. Today ...

The Marlin Alliance

Sr Machine Learning Engineer

Denver, CO

$107K - $147K/yr

Senior Machine Learning Engineer The Marlin Alliance, Inc. is seeking a talented and experienced Senior Machine Learning Engineer to join our team. The successful candidate will be expected to design ...

Ascentt

Senior Machine Learning Engineer

Plano, TX · On-site

$100K - $137K/yr

Senior Machine Learning Engineer Location: Ann Arbor, Michigan Experience Level: 7+ Years Department: Data Science / Engineering Employment Type: Full-time About the Role: We are looking for an ...

Autodesk

Senior Machine Learning Engineer

Atlanta, GA · On-site +1

$100K - $138K/yr

Position Overview As a Senior Machine Learning Engineer, you will play a key role in designing, developing, and evolving machine learning systems that support conversational AI, search, multi-agent ...

Freenome

Senior Machine Learning Engineer

Brisbane, CA · On-site +1

$125K - $172K/yr

Senior Machine Learning Engineer Brisbane, California About This Opportunity: At Freenome, we are seeking a Senior Machine Learning Research Engineer to join the Machine Learning Science (MLS) team ...

Autodesk

$86K - $119K/yr

Position Overview As a Senior Machine Learning Engineer, you will play a key role in designing, developing, and evolving machine learning systems that support conversational AI, search, multi-agent ...

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Senior Machine Learning Chemistry information

What is the difference between Senior Machine Learning Chemistry vs Data Scientist?

AspectSenior Machine Learning ChemistryData Scientist
Required CredentialsAdvanced degrees in Chemistry, Data Science, or related fields; experience with machine learning and chemistry-specific toolsDegrees in Computer Science, Statistics, or related fields; proficiency in programming, statistics, and data analysis
Work EnvironmentResearch labs, pharmaceutical companies, biotech firms focusing on chemical data analysisTech companies, finance, healthcare, and various industries analyzing large datasets
Employer & Industry UsageUsed in industries combining chemistry and machine learning, such as drug discovery and materials scienceWidely used across industries for data analysis, predictive modeling, and business insights

While both roles involve data analysis and machine learning, Senior Machine Learning Chemistry specializes in applying these skills to chemical data and research, whereas Data Scientists work across diverse industries analyzing various types of data. The choice depends on your industry focus and expertise in chemistry versus general data analysis.

What are the key skills and qualifications needed to thrive as a Senior Machine Learning Chemist, and why are they important?

To thrive as a Senior Machine Learning Chemist, you need a strong background in chemistry, expertise in machine learning algorithms, and an advanced degree (typically a PhD) in chemistry, computational science, or a related field. Proficiency with programming languages like Python, cheminformatics tools (such as RDKit), and experience with data analysis platforms and machine learning frameworks (e.g., TensorFlow, PyTorch) are crucial. Strong problem-solving skills, effective communication, and the ability to work collaboratively across interdisciplinary teams set successful candidates apart. These skills and qualities are vital for developing innovative solutions, translating chemical data into actionable insights, and advancing research and development in the field.

How does a Senior Machine Learning Chemistry professional typically collaborate with cross-functional teams in research and development projects?

Senior Machine Learning Chemistry professionals frequently collaborate with interdisciplinary teams, including computational chemists, data scientists, and experimental researchers. They play a key role in translating complex chemical problems into machine learning models, guiding data collection, and interpreting results to inform experimental design. Regular communication and joint planning sessions are common, ensuring that machine learning solutions align with project goals and that model outputs are actionable for the broader R&D team. This collaborative environment fosters innovation and accelerates the development of new materials or drugs.

What does a Senior Machine Learning Chemist do?

A Senior Machine Learning Chemist applies advanced machine learning techniques to solve complex problems in chemistry, such as predicting molecular properties, designing new materials, or accelerating drug discovery. They often work at the intersection of chemistry, computer science, and data analysis, collaborating with interdisciplinary teams. Their responsibilities include developing and optimizing algorithms, analyzing chemical data, and translating scientific questions into computational models to drive innovation in the chemical and pharmaceutical industries.
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Senior Machine Learning Chemistry jobs near you
Senior Machine Learning Scientist I, Drug Discovery Analytics

Senior Machine Learning Scientist I, Drug Discovery Analytics

Revolution Medicines

Redwood City, CA • Hybrid

$112K - $153K/yr

Other

Posted 22 days ago

Job description

The Opportunity:

We are seeking a Senior Machine Learning Scientist to help accelerate drug discovery through advanced analytics and artificial intelligence. This role will develop predictive models and analytical methods that transform complex biological and chemical datasets into actionable insights that guide research decisions.

The Senior Machine Learning Scientist will work at the interface of data science, chemistry, and biology to support target discovery, compound optimization, and translational research. This position requires both strong machine learning expertise and the ability to collaborate effectively with experimental scientists to solve real-world scientific problems.

The successful candidate will contribute to building a data-driven discovery ecosystem where data, analytics, and experimentation continuously inform and accelerate one another.
Key responsibilities include:

  • Develop Predictive Models for Drug Discovery.

  • Independently Design and implement machine learning models to predict compound activity, selectivity, and developability.

  • Identify and Develop predictive frameworks for ADME/Tox, target engagement, and phenotypic screening outcomes.

  • Apply advanced modeling approaches including deep learning, graph neural networks, and ensemble methods.

  • Evaluate model performance and apply appropriate validation strategies.

  • Work with data engineers and ML engineers to integrate models into discovery pipelines.

  • Analyze Complex Scientific Data.

  • Perform exploratory data analysis on chemical, biological, and phenotypic datasets.

  • Integrate heterogeneous datasets including:

  • Chemical structure and screening data.

  • Structural biology and molecular simulation outputs.

  • Collaborate with Research Scientists.

  • Partner with medicinal chemists to support compound design and lead optimization.

  • Work with biologists to interpret experimental results and identify new target opportunities.

  • Translate scientific questions into computational modeling strategies.

Required Skills, Experience and Education:

  • PhD in machine learning, computational biology, computational chemistry, computer science, statistics, or a related quantitative field.

  • 6-10 years experience applying machine learning or advanced analytics to scientific datasets.

  • Python and scientific computing libraries (NumPy, Pandas, SciPy).

  • Machine learning frameworks (PyTorch, TensorFlow, scikit-learn).

  • Model development, validation, and evaluation methods.

  • Data visualization and exploratory analysis.

  • Experience working with noisy and incomplete experimental datasets.

Preferred Skills:

  • Cheminformatics or molecular modeling tools (RDKit, OpenEye, etc.).

  • Multi-omics data analysis.

  • Cloud computing environments.

  • MLOps or scalable model deployment. 

    #LI-Hybrid  #LI-LN1

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