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Machine Learning Computational Chemistry Jobs in Colorado

Cymertek

Machine Learning Engineer

Aurora, CO · On-site

Machine Learning Engineer LOCATION Aurora, CO 80014 CLEARANCE TS/SCI Full Poly (Please note this ... Computational Biology, Physics, ect. ALTERNATE EXPERIENCE General comment on degrees: Most ...

Cymertek

HPC Software Architect

Aurora, CO · On-site

... Architect, Machine Learning Architect for HPC, Computational Framework Architect, Advanced ... Biology, Computational Chemistry, Information Technology, Systems Engineering, Artificial ...

GRVTY

Data Scientist 3

Colorado Springs, CO · On-site

... chemistry, biology, astronomy), or other science disciplines with a substantial computational ... Relevant experience must be in designing/implementing machine learning, data science, advanced ...

GRVTY

Data Scientist 3

Colorado Springs, CO

$155K - $185K/yr

... chemistry, biology, astronomy), or other science disciplines with a substantial computational ... Relevant experience must be in designing/implementing machine learning, data science, advanced ...

GRVTY

Data Scientist 3

Colorado Springs, CO · On-site

$155K - $185K/yr

... chemistry, biology, astronomy), or other science disciplines with a substantial computational ... Relevant experience must be in designing/implementing machine learning, data science, advanced ...

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All JobsMachine Learning Computational Chemistry JobsMachine Learning Computational Chemistry Jobs in Colorado

Machine Learning Computational Chemistry information

See Colorado salary details

$23.1K

$107.8K

$199.1K

How much do machine learning computational chemistry jobs pay per year?

As of Jul 26, 2026, the average yearly pay for machine learning computational chemistry in Colorado is $107,754.00, according to ZipRecruiter salary data. Most workers in this role earn between $72,483.00 and $145,436.00 per year, depending on experience, location, and employer.

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 Colorado? For Machine Learning Computational Chemistry jobs in Colorado, the most frequently searched job titles are:
What job categories do people searching Machine Learning Computational Chemistry jobs in Colorado look for? The top searched job categories for Machine Learning Computational Chemistry jobs in Colorado are:
Machine Learning Computational Chemistry jobs near you
Senior Machine Learning Scientist, Climate & Hydrology

Senior Machine Learning Scientist, Climate & Hydrology

Flagship Pioneering, Inc.

Boulder, CO • On-site

$94K - $129K/yr

Full-time

Medical, Retirement

Posted 17 days ago

Job description

COMPANY DESCRIPTION
Flagship Pioneering is a bioplatform innovation company that invents and builds companies that change the world. We bring together the greatest scientific minds with entrepreneurial company builders and assemble the capital to allow them to take courageous leaps. Those big leaps in human health, sustainability and beyond exponentially accelerate scientific progress in areas ranging from disease detection and treatment and nature-positive agriculture to novel applications of AI that are driving the creation of new technologies.
What sets Flagship apart is our ability to advance science and technology by uniting innovation, company creation, and capital investment under one roof in a way that is largely without precedent. Our scientific founders, entrepreneurial leaders, and professional capital managers are each aligned around an institutionalized process that enables us to innovate and transform for the benefit of people and planet.
Many of the companies Flagship has founded have addressed humanity's most urgent challenges: vaccinating billions of people against COVID-19, curing intractable diseases, improving human health, preempting illness, and feeding the world by improving the resiliency and sustainability of agriculture.
Flagship has been recognized twice on FORTUNE's "Change the World" list, an annual ranking of companies that have made a positive social and environmental impact through activities that are part of their core business strategies, and has been twice named to Fast Company's annual list of the World's Most Innovative Companies.
THE ROLE
We are seeking a Senior Machine Learning Scientist, Climate and Hydrology to lead the scientific direction and machine learning development for hydrology-aware climate modeling within our broader environmental modeling platform.
This role sits at the intersection of hydrology, weather and climate science, and large-scale machine learning. The Sr. Scientist will help shape how hydrologic process understanding, climate data, and modern ML methods are brought together in next-generation prediction systems, with emphasis on scientifically grounded model development and evaluation.
The individual in this role will work across science, ML, engineering, and data teams to define research priorities, guide model training and benchmarking, build reproducible workflows, and translate scientific insight into scalable model development. This is a cross-functional role requiring strong technical depth, structured scientific thinking, and the ability to move between foundational research and applied execution.
KEY RESPONSIBILITIES
  • Lead scientific and technical efforts at the intersection of hydrology, climate science, and machine learning.
  • Help define research priorities, modeling directions, and evaluation strategies for next-generation climate and environmental prediction systems.
  • Contribute to the development and improvement of ML-based modeling approaches informed by physical and Earth system science.
  • Work with large-scale climate, weather, hydrology, and remote sensing datasets to support model development and scientific analysis.
  • Build and oversee reproducible workflows for data processing, model training, benchmarking, and validation.
  • Collaborate closely with research, engineering, and data teams to translate scientific goals into scalable technical execution.
  • Guide assessment of model performance, uncertainty, and scientific robustness across a range of environmental conditions and applications.
  • Communicate findings through internal reviews, external collaborations, publications, and technical presentations.
  • Help shape the broader scientific roadmap and contribute to team growth and cross-functional leadership.

PROFESSIONAL EXPERIENCE & QUALIFICATIONS
  • PhD in machine learning, computational science, Earth science, atmospheric science, hydrology, AI, computer science, or a related quantitative discipline.
  • 5+ years of postdoctoral, industry, or applied research experience in climate ML, weather ML, hydrologic modeling, Earth system modeling, or a closely related field.
  • Demonstrated experience with ML-accelerated weather, climate, or hydrology models, with a strong publication track record in the area.
  • Experience working with large climate datasets, including reanalysis products, remote sensing datasets, observational datasets, and model output.
  • Experience with the computational infrastructure required to manage, preprocess, and train on large-scale climate datasets, preferably in the AWS ecosystem.
  • Strong programming skills in Python and experience with modern ML frameworks such as PyTorch
  • Background in scientific ML, spatiotemporal modeling, data assimilation, hybrid physics-ML methods, or related approaches is strongly preferred.
  • Ability to design rigorous evaluation frameworks, performance metrics, and benchmarking approaches for environmental prediction systems.
  • Strong technical writing and communication skills, including reports, presentations, and peer-reviewed publications.
  • Demonstrated ability to work independently in fast-paced, ambiguous environments while collaborating effectively across disciplines.
  • Experience leading cross-functional scientific efforts, mentoring researchers, or helping define research roadmaps is preferred.

LOCATION: Cambridge, MA or Boulder, CO (some travel to Cambridge, MA based headquarters if working from Colorado)
ABOUT FLAGSHIP PIONEERING:
Flagship Pioneering invents and builds platform companies, each with the potential for multiple products that transform human health, sustainability and beyond. Since its launch in 2000, Flagship has originated more than 100 companies. Many of these companies have addressed humanity's most urgent challenges: vaccinating billions of people against COVID-19, curing intractable diseases, improving human health, preempting illness, and feeding the world by improving the resiliency and sustainability of agriculture.
At Flagship, we accept impossible missions to enable bigger leaps. Our core values guide us through uncertainty and toward lasting impact.
We are an equal opportunity employer. All qualified applicants will be considered for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability, protected veteran status, or any other characteristic protected by law.
We recognize that great candidates often bring unique strengths without fulfilling every qualification. If you have some of the experience listed above but not all, please apply anyway. We are dedicated to building diverse and inclusive teams and look forward to learning more about your background and interest in Flagship.
Recruitment & Staffing Agencies: Flagship Pioneering and its affiliated Flagship Lab companies (collectively, "FSP") do not accept unsolicited resumes from any source other than candidates. The submission of unsolicited resumes by recruitment or staffing agencies to FSP or its employees is strictly prohibited unless contacted directly by Flagship Pioneering's internal Talent Acquisition team. Any resume submitted by an agency in the absence of a signed agreement will automatically become the property of FSP, and FSP will not owe any referral or other fees with respect thereto.
#LI-TL1
The salary ranges for this role are $127,000 - $205,900 (Colorado) and $168,000 - $231,000 (Massachusetts). Compensation for the role will depend on a number of factors, including a candidate's qualifications, skills, competencies, and experience. Protocos currently offers healthcare coverage, annual incentive program, retirement benefits and a broad range of other benefits. Compensation and benefits information is based on Protoco's good faith estimate as of the date of publication and may be modified in the future.
Privacy Notice for Applicants: When you apply for a role at Flagship Pioneering or one of its portfolio companies, we collect and use personal information you provide (such as your name, contact details, work history, and application materials) to evaluate your application, communicate with you, and comply with legal obligations. Your application data is processed through Greenhouse, our applicant tracking system, and may also be reviewed using AI-assisted screening tools. We do not sell your personal information. California residents have rights under the CCPA/CPRA including to know, delete, and opt out of the sharing of their personal information. If you are located in the EU or UK, we process your data under GDPR and you have rights to access, rectify, and erase your data. To exercise your rights or for questions, contact privacy@flagshippioneering.com.

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