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Machine Learning Computational Chemistry Jobs in Secaucus, NJ

Varsity Tutors

Physical Chemistry Tutor

Paramus, NJ · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Yonkers, NY · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Jersey City, NJ · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Summit, NJ · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

New Rochelle, NY · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Hempstead, NY · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Westfield, NJ · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Elizabeth, NJ · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Paterson, NJ · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Clifton, NJ · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

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All JobsMachine Learning Computational Chemistry JobsMachine Learning Computational Chemistry Jobs in Secaucus, NJ

Machine Learning Computational Chemistry information

Is computational chemistry in demand?

Computational chemistry is in high demand within industries such as pharmaceuticals, materials science, and chemical research, where it supports drug discovery and molecular modeling. Professionals with skills in machine learning, programming, and chemistry are increasingly sought after to develop advanced simulation tools and analyze complex data sets.

What is the difference between Machine Learning Computational Chemistry vs Computational Chemist?

AspectMachine Learning Computational ChemistryComputational Chemist
Required CredentialsAdvanced degrees in chemistry, computer science, or related fields; knowledge of machine learning and programmingDegree in chemistry, chemical engineering, or related fields; strong background in chemical theory and modeling
Work EnvironmentResearch labs, tech companies, academia; focus on algorithm development and data analysisLaboratories, research institutions, industry; focus on chemical modeling and simulation
Employer & Industry UsageTech firms, pharmaceutical companies, research institutions applying AI/ML techniquesPharmaceutical, chemical, and materials industries conducting chemical research and development

Machine Learning Computational Chemists specialize in applying machine learning algorithms to chemical data, enhancing predictive models and simulations. Computational Chemists focus on traditional chemical modeling and simulations using computational methods. Both roles require strong chemistry backgrounds, but Machine Learning Computational Chemists emphasize data science and AI skills, while Computational Chemists focus on chemical theory and modeling techniques.

What is machine learning computational chemistry?

Machine learning computational chemistry is a field that combines machine learning techniques with computational chemistry to accelerate the discovery and design of molecules and materials. By training algorithms on large datasets of chemical information, researchers can predict molecular properties, simulate chemical reactions, and optimize compounds more efficiently than traditional methods. This approach helps reduce the time and cost required for research in drug discovery, materials science, and related fields.

What are some common challenges faced by professionals working in machine learning computational chemistry roles?

One common challenge in Machine Learning Computational Chemistry roles is integrating large and often complex chemical datasets with appropriate machine learning models, which requires a solid understanding of both domains. Professionals may also encounter difficulties in ensuring that their models are both interpretable and generalizable to new data, as overfitting is a frequent issue. Additionally, collaboration with chemists and data scientists is essential, so clear communication across disciplines is key to success. Staying up to date with the latest developments in both computational chemistry and machine learning is crucial for ongoing professional growth.

What are the key skills and qualifications needed to thrive as a machine learning computational chemist, and why are they important?

To thrive as a Machine Learning Computational Chemist, you need a solid background in chemistry, mathematics, and computer science, typically supported by an advanced degree in computational chemistry, cheminformatics, or a related field. Proficiency with programming languages (such as Python), machine learning frameworks (like TensorFlow or PyTorch), and molecular modeling software is essential. Strong analytical thinking, problem-solving skills, and effective collaboration are key soft skills that help drive innovation and teamwork. These skills and qualifications are critical for developing accurate models, advancing research, and translating computational insights into real-world chemical solutions.
What job categories do people searching Machine Learning Computational Chemistry jobs in Secaucus, NJ look for? The top searched job categories for Machine Learning Computational Chemistry jobs in Secaucus, NJ are:
What cities near Secaucus, NJ are hiring for Machine Learning Computational Chemistry jobs? Cities near Secaucus, NJ with the most Machine Learning Computational Chemistry job openings:
Machine Learning Computational Chemistry jobs near you
Infographic showing various Machine Learning Computational Chemistry job openings in Secaucus, NJ as of June 2026, with employment types broken down into 2% As Needed, 73% Full Time, 21% Part Time, 2% Contract, and 2% Nights. Highlights an 87% Physical, 2% Hybrid, and 11% Remote job distribution.

Machine Learning Scientist/Senior Machine Learning Scientist - Synthesis Planning and Optimization,

Genentech

Manhattan, NY • On-site

$100K - $137K/yr

Full-time

Re-posted 17 days ago

Genentech rating

8.8

Company rating: 8.8 out of 10

Based on 22 frontline employees who took The Breakroom Quiz

11th of 86 rated pharmaceutical

Job description

Job Summary:
Genentech is a company dedicated to innovating healthcare for a healthier future. They are seeking a Machine Learning Scientist / Senior Machine Learning Scientist to develop machine learning methods for synthesis-aware molecular design to assist scientists in drug discovery.
Responsibilities:
• Develop and advance machine learning methods for synthesis-aware molecular design across retrosynthesis, synthesis planning, molecular generation, and search in synthesizable chemical spaces.
• Integrate proprietary reaction and biochemical data to design the next generation of synthesis-aware models and workflows for hit finding and optimisation.
• Build robust, scalable pipelines for active-learning loops that interface directly with automated and high-throughput synthesis platforms.
• Design novel batch synthesis-planning algorithms that maximise chemical-space coverage, information gain and experimental efficiency.
• Drive scientific impact through publications, open-source releases, and conference talks.
• Collaborate widely with computational and experimental researchers at Roche and with academic partners.
Qualifications:
Required:
• Deep machine-learning expertise with a strong foundation in linear algebra, probability and optimization.
• Hands-on experience in modern machine learning approaches such as graph-neural networks, sequence/language models and reinforcement learning.
• Familiarity with chemistry concepts relevant to synthesis planning and molecular optimisation.
• Experience with small molecule data and cheminformatics toolkits such as RDKit or Openeye.
• Fluency in Python.
• Experience with modern ML frameworks like PyTorch or JAX.
• Experience with scientific software development.
• PhD or equivalent research depth in machine learning, computational chemistry, chemical engineering or a related quantitative field such as physics or statistics.
• Up to 2 years of industry research experience (Scientist) or 2+ years of industry research experience (Senior Scientist).
• Record of scientific excellence evidenced by journal and conference publications or a public portfolio of relevant projects (e.g. hosted on GitHub/GitLab).
Preferred:
• Experience with retrosynthesis or synthesis-planning models.
• Experience with automated/high-throughput synthesis.
Company:
Genentech is a biotechnology research company that specializes in genetic testing and personalized medicines. Founded in 1976, the company is headquartered in South San Francisco, USA, with a team of 10001+ employees. The company is currently Late Stage.

What Genentech employees say

Pay

Benefits

Hours and flexibility

Workplace

Get the full story on Breakroom

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About Genentech

Sourced by ZipRecruiter

A member of the Roche Group, Genentech has been at the forefront of the biotechnology industry for more than 40 years, using human genetic information to develop novel medicines for serious and life-threatening diseases. Genentech has multiple therapies on the market for cancer & other serious illnesses. Please take this opportunity to learn about Genentech where we believe that our employees are our most important asset & are dedicated to remaining a great place to work.

Industry

Scientific research and development services

Company size

10,000+ Employees

Headquarters location

South San Francisco, CA, US

Year founded

1976

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