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About the Role

We are seeking an exceptional, highly motivated computational scientist to join our Research Laboratories. This role focuses on building algorithms, tools, and workflows that integrate predictive modeling, agentic scientific reasoning, and physics-based insight to advance drug design and development.

Responsibilities

Develop novel AI/ML algorithms and computational methods for representation, prediction, generation, reasoning, and decision-making.
Rigorously evaluate AI/ML methods against appropriate computational and experimental benchmarks.
Develop and apply modern deep-learning approaches for molecular discovery that combine machine learning with physical and biophysical understanding.
Develop agentic workflows that integrate predictive models, scientific tools, experimental data, simulations, and scientific literature.
Collaborate directly with medicinal and computational chemistry project teams to apply AI/ML and computational approaches to molecular design.
Build reproducible scientific methods and workflows, pilot new approaches on active drug-discovery programs, and collaborate with colleagues to deploy successful methods.
Conduct innovative research in computational chemistry, computer science, biophysical chemistry, and molecular modeling relevant to drug discovery.
Mentor scientists and help expand organizational capabilities in data-driven molecular design, computational methodology, and scientific reasoning.

Requirements

A minimum of two years of hands-on experience developing, training, and evaluating deep-learning models using a deep-learning framework (such as Pytorch, JAX, or similar).
Broad competency in modern data science.
Research experience applying deep learning approaches to chemistry or biophysics problems.
Experience with agentic AI frameworks.
Track-record of scientific publications in peer-reviewed journals.
Strong Python skills for scientific programming, methods development, and algorithm development on Linux high performance compute.
Excellent written and oral communication skills.

Skills

Agentic AI
Applied Mathematics
Artificial Intelligence (AI)
Chemistry
Computational Chemistry
Data Modeling
Data Science
Deep Learning
LangChain (FrameWork)
LangGraph
Linux
Machine Learning (ML)
Molecular Modeling
PyTorch
Graph neural networks
Transformers
Diffusion models
Generative modeling
Reinforcement learning
Active learning
Molecular foundation models
Cheminformatics
RDKit
3D molecular modeling
Physics-based computational methods
Protein-ligand modeling
Structure-based molecular design
Molecular dynamics
Quantum chemistry
Scientific software-engineering

Location

South San Francisco, California

Work Type

On-site
Regular
Domestic/International Relocation
10% Travel

Experience Level

Bachelor’s (with 7+ years)
Master’s (with 4+ years)
Ph.D. (or Ph.D. completion by June 2027)

Education Level

Bachelor’s Degree
Master’s Degree
Ph.D.

Salary/Compensations

$159,600.00 - $251,200.00

Benefits

Medical, dental, vision healthcare and other insurance benefits (for employee and family)
Retirement benefits, including 401(k)
Paid holidays, vacation, and compassionate and sick days
Annual bonus
Long-term incentive

About the Company

Our multi-disciplinary Research and Development organization combines state-of-the-art resources with world-class expertise in therapeutic discovery and development.
We are inspired by the belief that a research-driven enterprise dedicated to scientific excellence can create medicines and vaccines that save and improve lives.
Grounded in a culture of respect, invention, and collaboration, our organization offers a dynamic environment where you can build on a proud legacy of scientific breakthroughs while advancing your career.
Modeling and Informatics (M&I) is an inclusive group of approximately 50 computational chemists and data scientists within our global Discovery Chemistry organization.
With a strong track record of pipeline impact, we apply cutting-edge capabilities in structure-based modeling and predictive science to advance drug design and development worldwide.
With an unbiased approach to drug modalities, in-house access to the newest screening techniques, and world-class medicinal chemistry, we have a wealth of opportunities to impact our pipeline and ultimately save and improve patient lives.
We are proud to be a company that embraces the value of bringing together, talented, and committed people with diverse experiences, perspectives, skills and backgrounds.
The fastest way to breakthrough innovation is when people with diverse ideas, broad experiences, backgrounds, and skills come together in an inclusive environment.
We encourage our colleagues to respectfully challenge one another’s thinking and approach problems collectively.

Equal Opportunity

As an Equal Employment Opportunity Employer, we provide equal opportunities to all employees and applicants for employment and prohibit discrimination on the basis of race, color, age, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, disability status, or other applicable legally protected characteristics.
As a federal contractor, we comply with all affirmative action requirements for protected veterans and individuals with disabilities.
San Francisco Residents Only: We will consider qualified applicants with arrest and conviction records for employment in compliance with the San Francisco Fair Chance Ordinance.
Los Angeles Residents Only: We will consider for employment all qualified applicants, including those with criminal histories, in a manner consistent with the requirements of applicable state and local laws, including the City of Los Angeles’ Fair Chance Initiative for Hiring Ordinance.