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Machine Learning Computational Chemistry Jobs in Houston, TX

Varsity Tutors

Physical Chemistry Tutor

Missouri City, TX · 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

Houston, TX · 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

Pearland, TX · 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

Sugar Land, TX · 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 ...

Accenture

AI/ML Computational Science Manager

Houston, TX · On-site

$94K - $293K/yr

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

  • PTO

As an Artificial Intelligence and Machine Learning Computational Science professional, you will play a pivotal role in formulating real-world problems into practical, efficient, and scalable AI and ...

Varsity Tutors

High School Chemistry Tutor

Pearland, TX · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Emphasizes building chemical intuition alongside computational skills and connects chemistry to ...

Varsity Tutors

High School Chemistry Tutor

Houston, TX · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Emphasizes building chemical intuition alongside computational skills and connects chemistry to ...

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All JobsMachine Learning Computational Chemistry JobsMachine Learning Computational Chemistry Jobs in Houston, TX

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 are popular job titles related to Machine Learning Computational Chemistry jobs in Houston, TX?

For Machine Learning Computational Chemistry jobs in Houston, TX, the most frequently searched job titles are:

What job categories do people searching Machine Learning Computational Chemistry jobs in Houston, TX look for?

The top searched job categories for Machine Learning Computational Chemistry jobs in Houston, TX are:

What cities near Houston, TX are hiring for Machine Learning Computational Chemistry jobs?

Cities near Houston, TX with the most Machine Learning Computational Chemistry job openings:

Machine Learning Computational Chemistry jobs near you

Postdoctoral Associate

Baylor College of Medicine

Houston, TX

Full-time

Re-posted 18 days ago

Baylor College of Medicine rating

8.0

Company rating: 8.0 out of 10

Based on 24 frontline employees who took The Breakroom Quiz

188th of 618 rated colleges and universities

Job description

Summary

Postdoctoral positions in cheminformatics are available in the Zhi Tan laboratory at Baylor College of Medicine (Houston, TX), an interdisciplinary group using deep learning, computational chemistry, medicinal chemistry, chemical biology, and molecular cell biology to develop novel therapeutics to tackle complex diseases such as cancers. Postdoctoral Associate with a proven track record in developing open-source machine learning, deep learning, or cheminformatics tools.

Baylor College of Medicine typically follows similar to the NIH stipulated stipend guidelines for Postdoctoral Associates.

Job Duties
  • Plans, directs and conducts research experiments.
  • Develops research techniques and perform applications required for specific research projects.
  • Conducts literature searches and summarize information in an appropriate format for a particular study.
  • Documents results of experiments and reports to principal investigators. 
  • Performs other job-related duties as assigned.
Minimum Qualifications
  • MD or Ph.D. in Basic Science, Health Science, or a related field.
  • No experience required.
Preferred Qualifications
  • Doctoral Degree in Computational Chemistry, bioinformatics, computational biology, or related discipline. Experience may not be substituted in lieu of degree.
  • Experience in cheminformatics software development.
  • Experience in developing machine learning, deep learning tools, especially with application in drug discovery.
  • Experience with high performance computing environment (HPC) / cluster job submission.
  • Knowledge of statistical methods, data science algorithms, scientific and numerical computation.
  • Familiarity with common Python tools including Pandas, Numpy, Scipy, Django, RDKit.
  • Proficiency in coding and debugging in Pytho.
  • Strong knowledge and experience with relational databases (e.g. Oracle, SQL, MySQL).
  • Comfortable working in a Linux environment.
  • Experience with data processing pipelines and data analysis.
  • Excellent communication skills with a diverse team of biological and chemical scientists.
  • Experience with development of open-source computational tools (machine learning, deep learning, cheminformatics), especially with application in drug discovery.

Baylor College of Medicine is an Equal Opportunity/Affirmative Action/Equal Access Employer.

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