300K–320K USD / year
Research Scientist, Life Sciences (Computational Chemistry)
AIOn-site — San Francisco, CA
Published on 2026-10-26
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About this role
Build chemistry-focused reinforcement learning environments, datasets, and evaluations to improve Claude’s capabilities in life sciences. Partner with bench chemists and AI researchers to translate real chemistry problems and experimental data into training tasks, evaluate model performance, and guide future research.
About the company
Anthropic builds reliable and interpretable AI systems, including the Claude family of models, for businesses and developers. The company focuses on AI safety research and practical AI assistants for enterprise and consumer use.
The team
Life Sciences team
Stack
PythonRDKit
What you'll do
- Build chemistry reinforcement learning environments, including task design, data curation, grading, and leakage checks
- Develop experimental datasets and evaluations with bench chemists and external research partners
- Evaluate models on reaction prediction, synthesis planning, structure elucidation, and compound design
- Run and analyze training experiments, diagnose model failures, and prioritize follow-up work
- Document datasets, splits, sources, and failure modes
- Communicate findings across chemistry, AI research, and life sciences teams
What we're looking for
- PhD in chemistry, computational chemistry, or a related field
- Deep knowledge of organic and medicinal chemistry, reactions, synthesis, and SAR
- Strong Python skills and solid machine learning fundamentals
- Hands-on experience training and evaluating machine learning models
- Ability to work independently and collaboratively in an ambiguous research environment
- Strong written and verbal communication skills
Nice to have
- Experience with reinforcement learning, large language models, or evaluation benchmarks
- Experience supporting drug discovery alongside medicinal and synthetic chemists
- Experience curating chemistry datasets from literature, patents, or lab notebooks
- Cheminformatics or molecular modeling experience, such as docking, free energy calculations, or quantum chemistry
- Hands-on synthetic or medicinal chemistry experience
- Relevant publications, patents, or open-source software
Benefits
- Generous vacation and parental leave
- Flexible working hours
- Optional equity donation matching