Senior Specialist, Data Science / Modeling & Informatics (AI/ML)

Location: On-site at the research laboratories in South San Francisco, California, United States. The role involves in-person collaboration and is not remote; travel requirements are 10%.

Base salary: $159,600–$251,200 per year, plus eligibility for annual bonus and long-term incentive where applicable.

Company

hirify.global’s global Discovery Chemistry organization applies computational chemistry, data science, and predictive modeling to therapeutic and drug discovery.

What you will do

• Develop AI/ML algorithms and computational methods for molecular representation, prediction, generation, reasoning, and decision-making.
• Evaluate methods against computational and experimental benchmarks, including uncertainty, robustness, failure modes, and prospective utility.
• Build deep-learning approaches that combine machine learning with physical and biophysical understanding of molecular systems.
• Develop agentic workflows integrating predictive models, scientific tools, experimental data, simulations, structural information, SAR, and scientific literature.
• Collaborate with medicinal and computational chemists on molecular design, SAR interpretation, hypothesis generation, and experimental prioritization.
• Build reproducible workflows, pilot methods on drug-discovery programs, publish and present research, and mentor scientists.

Requirements

• Bachelor’s degree with 7+ years of relevant experience, Master’s degree with 4+ years, or Ph.D. in Engineering, Computer Science, Machine Learning, Chemistry, Computational Chemistry, Biophysics, Applied Mathematics, or a related discipline; Ph.D. completion by June 2027 is accepted.
• At least two years of hands-on experience, including experience obtained during education, developing, training, and evaluating deep-learning models with PyTorch, JAX, or a similar framework.
• Broad competency in modern data science and research experience applying deep learning to chemistry or biophysics problems.
• Experience with agentic AI frameworks.
• Track record of scientific publications in peer-reviewed journals.
• Strong Python skills for scientific, methods, and algorithm development on Linux high-performance computing systems.
• Excellent written and oral communication skills.

Nice to have

• Experience with graph neural networks, transformers, diffusion models, generative modeling, reinforcement learning, active learning, or molecular foundation models.
• Experience with LangChain, LangGraph, or similar agentic AI frameworks.
• Experience with cheminformatics tools such as RDKit.
• Experience with 3D molecular modeling and physics-based methods, including protein-ligand modeling, structure-based molecular design, molecular dynamics, or quantum chemistry.
• Scientific software-engineering experience translating research algorithms into robust, reproducible computational workflows.
• Experience collaborating directly with experimental scientists.

Culture & Benefits

• Collaborative, inclusive research environment focused on scientific excellence, invention, respect, and interdisciplinary problem-solving.
• Medical, dental, vision, and other insurance benefits for employees and families.
• Retirement benefits including 401(k), paid holidays, vacation, compassionate leave, and sick days.
• Regular employee status with first-shift daytime work; flexible work arrangements are not applicable.

Hiring process

• Applications are accepted through the hirify.global careers portal; current employees and contingent workers use the designated internal application routes.
• Visa sponsorship is available. Relocation is listed as domestic/international.