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Machine Learning Computational Chemistry Jobs in Indiana

Elanco

Senior Research Scientist

Indianapolis, IN · On-site

$94K - $120K/yr

... Chemistry, Computational Biology, Technical Development, and Preclinical Development. Collaborate with Computational Sciences to develop machine learning models for hit expansion and property ...

micro1 AI

AI Trainer - Microbiology Expert

Carmel, IN · Remote

$70 - $90/hr

Bachelor's degree or higher in Biology, Microbiology, Chemistry, or a related field. * Extensive ... Experience with AI, machine learning, or annotation projects related to biology or microbiology.

micro1 AI

AI Trainer - Microbiology Expert

Fishers, IN · Remote

$70 - $90/hr

Bachelor's degree or higher in Biology, Microbiology, Chemistry, or a related field. * Extensive ... Experience with AI, machine learning, or annotation projects related to biology or microbiology.

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Showing results 21-40

All JobsMachine Learning Computational Chemistry JobsMachine Learning Computational Chemistry Jobs in Indiana

Machine Learning Computational Chemistry information

See Indiana salary details

$23K

$107.3K

$198.3K

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

As of Aug 17, 2026, the average yearly pay for machine learning computational chemistry in Indiana is $107,307.00, according to ZipRecruiter salary data. Most workers in this role earn between $72,182.00 and $144,833.00 per year, depending on experience, location, and employer.

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 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.

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 are popular job titles related to Machine Learning Computational Chemistry jobs in Indiana?

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

What job categories do people searching Machine Learning Computational Chemistry jobs in Indiana look for?

The top searched job categories for Machine Learning Computational Chemistry jobs in Indiana are:

What cities in Indiana are hiring for Machine Learning Computational Chemistry jobs?

Cities in Indiana 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 Indiana as of August 2026, with employment types broken down into 1% As Needed, 74% Full Time, 22% Part Time, 1% Temporary, and 2% Contract. Highlights an 89% Physical, 2% Hybrid, and 9% Remote job distribution, with an average salary of $107,307 per year, or $51.6 per hour.

Senior Research Scientist

Elanco Animal Health Incorporated

Indianapolis, IN • On-site

$94K - $120K/yr

Full-time

Retirement, PTO

Posted 8 days ago

Elanco rating

7.8

Company rating: 7.8 out of 10

Based on 25 frontline employees who took The Breakroom Quiz

50th of 86 rated pharmaceutical

Job description

At Elanco (NYSE: ELAN) - it all starts with animals!
As a global leader in animal health, we are dedicated to innovation and delivering products and services to prevent and treat disease in farm animals and pets. At Elanco, we are driven by our vision of Food and Companionship Enriching Life and our purpose - all to Go Beyond for Animals, Customers, Society and Our People.
At Elanco, we pride ourselves on fostering a diverse and inclusive work environment. We believe that diversity is the driving force behind innovation, creativity, and overall business success. Here, you'll be part of a company that values and champions new ways of thinking, work with dynamic individuals, and acquire new skills and experiences that will propel your career to new heights.
Making animals' lives better makes life better - join our team today!
Your Role: Senior Research Scientist - Target Intelligence and Early Project Lead
As a Senior Scientist in the Mechanistic Biology team, you will lead novel target identification and validation across multiple animal diseases to build the drug discovery pipeline. This is a non-lab role focused on guiding cross-functional teams through early-stage drug discovery by leveraging advanced in vitro techniques, integrated AI/ML-driven platforms, and functional genomics. You will be responsible for accelerating the discovery cycle through high-throughput screening (HTS) approaches to rapidly move from Hit-to-Lead for both small molecules and biologics.
Your Responsibilities:
  • Target Identification & Discovery Innovation: Lead the identification and prioritization of novel targets using in vitro/in vivo experiments, literature reviews, bioinformatics, functional genomics, and AI/ML. Implement iterative "design-test-learn" and active learning cycles to optimize lead compounds and accelerate the discovery cycle.
  • Screening & Digital Discovery: Design and deploy high-throughput and multi-modal screening strategies-including biochemical, biophysical, and cellular approaches-to identify novel chemical and biological starting points. Leverage AI-augmented data analysis, digital phenotyping, and digital discovery platforms to accelerate candidate identification and minimize experimental costs.
  • Cross-Functional Discovery Leadership: Guide cross-functional teams through early drug discovery from initial concept through target validation, partnering closely with Computational Sciences, Chemistry, Medicinal Chemistry, Computational Biology, Technical Development, and Preclinical Development. Collaborate with Computational Sciences to develop machine learning models for hit expansion and property prediction.
  • Target De-risking, Biomarkers & Translational Models: Develop strategies to de-risk targets and enhance commercial viability by integrating Chemistry, Manufacturing, and Controls (CMC) considerations and assessing on-target/off-target safety risks. Develop and integrate biological, AI-enabled, and imaging biomarker strategies and translational in vitro disease models, including CRISPR/Cas9-edited primary cell lines and organoids, to accelerate discovery.
  • External Partnerships & Scientific Advancement: Manage external CRO partnerships and biotech collaborations, providing scientific expertise to support discovery campaigns including DNA-encoded library (DEL), phage display, and yeast display. Foster strategic research collaborations and stay at the forefront of study design, model development, and New Approach Methodologies (NAMs) to maintain a competitive edge in animal health research.

What You Need to Succeed (minimum qualifications):
  • Education: Ph.D. in Cell/Molecular Biology, Pharmacology, Biochemistry, or a related field with several years of postdoctoral training.
  • Experience: Professional experience in industry research and early-stage biotech/drug discovery, including CRO management and experience with integrated digital discovery and HTS platforms.
  • Top 2 skills:Expert in target identification and validation: Including biological assay development for small/large molecules and expertise in high-throughput approaches to validate and identify targets (e.g., DEL, virtual screening).Expertise in New Approach Methodologies (NAMs): Such as organoids/iPSCs and CRISPR/Cas9 screening, with high proficiency in using AI/ML and deep learning for target validation and phenotypic profiling.

What will give you a competitive edge (preferred qualifications):
  • 3 years of experience in a pharmaceutical company, preferably in animal health.
  • Demonstrated success identifying novel targets and a proven publication record.
  • Experience with generative AI (e.g., ProteinMPNN) for de novo protein design and affinity maturation.
  • Demonstrated ability to lead projects in a fast-paced, agile environment; ability to collaborate and influence cross-functionally
  • Working knowledge of applicable statistical principles and data analysis techniques.
  • Experience with compound library screening and biomolecular training (RNA-seq, omics, flow cytometry).

Additional Information:
  • Travel: up to 25 %
  • Location: Global Elanco Headquarters - Indianapolis, IN - Hybrid Environment

Don't meet every single requirement? Studies have shown underrepresented groups are less likely to apply to jobs unless they meet every single qualification. At Elanco we are dedicated to building a diverse and inclusive work environment. If you think you might be a good fit for a role but don't necessarily meet every requirement, we encourage you to apply. You may be the right candidate for this role or other roles!
Elanco Benefits and Perks:
We offer a comprehensive benefits package focusing on financial, physical, and mental well-being while encouraging our employees to pursue our purpose! Some highlights include:
  • Multiple relocation packages
  • Two weeklong shutdowns (mid-summer and year-end) in the US (in addition to PTO)
  • 8-week parental leave
  • 9 Employee Resource Groups
  • Annual bonus offering
  • Flexible work arrangements
  • Up to 6% 401K matching

#LI-RH1
Elanco is an EEO/Affirmative Action Employer and does not discriminate on the basis of age, race, color, religion, gender, sexual orientation, gender identity, gender expression, national origin, protected veteran status, disability or any other legally protected status
Elanco may use automated tools, including AI, to support parts of our recruitment process, such as reviewing applications against job-related criteria and/or transferrable skills. These tools help ensure a consistent, structured evaluation, but they do not make hiring decisions. All decisions involve a human reviewer. For more information on how we handle personal data, please see our Elanco Workforce Privacy Notice.

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