Machine Learning Computational Chemistry Jobs (NOW HIRING)

Why Join MLCS in Medicine Design
Pfizer Medicine Design brings together medicinal chemistry, discovery sciences, and MLCS to invent medicines that deliver meaningful benefits to patients. MLCS plays a central role in enabling data centric and ML-driven discovery, with opportunities to make impact directly on drug discovery projects through clear communication of actionable insights.
Position Summary
The Machine Learning & Computational Sciences (MLCS) organization within Medicine Design at Pfizer partners broadly across R&D to deliver computational, cheminformatics, and machine learning (ML) capabilities that accelerate drug discovery and development. MLCS supports medicinal chemistry and drug design teams by enabling data-driven decision making, scalable cheminformatics platforms, and impactful scientific applications across the discovery pipeline.
We are seeking a Senior Computational Chemist with a strong cheminformatics background and a proven track record of independent scientific delivery. The ideal candidate is expected to lead applied computational and cheminformatics efforts across project teams, develop and shape technical approaches across multiple initiatives, and contribute durable, reusable capabilities that strengthen MLCS platform infrastructure and influence how computational chemistry and cheminformatics is best practiced across Medicine Design. With strong communication skills and adept at building productive partnerships, the successful candidate will thrive working in cross-functional teams with talented scientists across disciplines.
Key Responsibilities
Chemistry Data Enablement (Data Science / Data Engineering):

• Lead the design, curation, and application of high-quality chemistry and pharmacology datasets used across multiple discovery programs.
• Architect and deploy data pipelines and transformations that enable scalable, reproducible data analytics and modeling.
• Set expectations for data quality and fitness-for-purpose in collaboration with scientific and platform stakeholders.

Applied ML and Cheminformatics:

• Independently frame ambiguous medicinal chemistry problems into clear computational strategies and decision-support analyses.
• Drive the application of ML and Cheminformatics models to high-impact drug discovery questions.
• Critically assess model performance and limitations, guiding appropriate interpretation and use in project decisions.

Rapid Prototyping & Front-End Development:

• Deliver robust, reusable, and well-documented scientific software aligned with modern best practices.
• Lead rapid prototyping of chemistry and cheminformatics applications to validate workflows and user experience with end users.
• Partner closely with chemists and software teams to evolve successful prototypes into production-ready solutions.

Cross-Functional Collaboration & Delivery:

• Effectively bridge chemistry, data science, and software perspectives to align stakeholders around robust solutions.
• Influence projects through technical insight, credibility, and data-driven recommendations.
• Contribute to the scientific culture of MLCS through knowledge sharing, internal talks, and cross-team collaboration.

Required Qualifications

• Ph.D. in Computational Chemistry, Cheminformatics, Computer Science, or related fields; or M.S. with substantial relevant industry experience.
• Deep understanding of cheminformatics concepts, including molecular representations, similarity methods, QSAR, virtual screening, chemical spaces
• Experience analyzing large, complex chemistry-related datasets.
• Strong proficiency in Python and cheminformatics toolkits (RDKit or equivalent).
• Experience with standard data science packages (numpy, pandas, etc)
• Proven experience applying ML models in real-world discovery projects.
• Practical experience with rapid application or UI prototyping in a scientific context.

Preferred Qualifications

• Prior experience in pharmaceutical or biotech drug discovery environments.
• Familiarity with deploying and scaling scientific workflows and applications.
• Experience with database design and processing (SQL, RestAPI).
• Experience in large-scale data handling and developing data pipelines.
• Familiarity developing code in collaborative manner (GitHub, code review & sharing).
• Familiarity working in HPC (e.g. SLURM) or cloud-based (AWS, GCP) environments.
• Familiarity with efficient use of agentic coding environments (GitHub Copilot or equivalent)

Additional Information
Relocation support available
Work Location Assignment: Hybrid
The annual base salary for this position ranges from $106,000.00 to $176,600.00. In addition, this position is eligible for participation in Pfizer's Global Performance Plan with a bonus target of 15.0% of the base salary and eligibility to participate in our share based long term incentive program. We offer comprehensive and generous benefits and programs to help our colleagues lead healthy lives and to support each of life's moments. Benefits offered include a 401(k) plan with Pfizer Matching Contributions and an additional Pfizer Retirement Savings Contribution, paid vacation, holiday and personal days, paid caregiver/parental and medical leave, and health benefits to include medical, prescription drug, dental and vision coverage. Learn more at Pfizer Candidate Site - U.S. Benefits | (uscandidates.mypfizerbenefits.com). Pfizer compensation structures and benefit packages are aligned based on the location of hire. The United States salary range provided does not apply to Tampa, FL or any location outside of the United States.
Relocation assistance may be available based on business needs and/or eligibility.
Candidates must be authorized to be employed in the U.S. by any employer.
U.S. work visa sponsorship (such as TN, O-1, H-1B, etc.) is not available for this role now or in the future.
Sunshine Act
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EEO & Employment Eligibility
Pfizer is committed to equal opportunity in the terms and conditions of employment for all employees and job applicants without regard to race, color, religion, sex, sexual orientation, age, gender identity or gender expression, national origin, disability or veteran status. Pfizer also complies with all applicable national, state and local laws governing nondiscrimination in employment as well as work authorization and employment eligibility verification requirements of the Immigration and Nationality Act and IRCA. Pfizer is an E-Verify employer. This position requires permanent work authorization in the United States.
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