Research Scientist, Life Sciences (Computational Chemistry)

Details

Anthropic’s Life Sciences team is building a research group focused on biological discoveries by combining AI with hands-on biological research. This role combines deep chemistry knowledge with machine learning expertise to build reinforcement learning environments, datasets, and evaluations that teach Claude chemistry. The role works closely with bench chemists and AI researchers to turn real chemistry problems and experimental data into training tasks and measure model improvement.

Responsibilities

• Design and build reinforcement learning environments for chemistry end to end, including task design, data curation, automated grading, and checks against shortcuts and data leakage.
• Design and source experimental datasets, environments, and evaluations with bench chemists and external research and academic partners.
• Develop evaluations for real chemistry tasks, including reaction outcome prediction, synthesis planning, structure elucidation, and compound design.
• Run and analyze training experiments with AI research teams, diagnose model failures in chemistry, and prioritize future development.
• Ensure datasets and environments are high quality and well documented, including sources, training and test splits, and failure modes.
• Communicate findings clearly to chemistry, AI research, and life sciences audiences.

Requirements

• PhD in chemistry, computational chemistry, or a related field.
• Deep knowledge of organic and medicinal chemistry, including reactions, synthesis, and structure–activity relationships, with experimental data as ground truth.
• Strong Python skills and solid machine learning fundamentals, with hands-on experience training and evaluating models.
• Comfort navigating ambiguity and defining problems in a rapidly evolving research environment.
• Ability to work independently while collaborating effectively across cross-functional teams, with strong written and verbal communication skills.

Preferred Qualifications

• Experience with reinforcement learning, large language models, or building evaluations and benchmarks.
• Track record of supporting drug discovery programs alongside medicinal and synthetic chemists.
• Experience curating chemistry datasets from literature, patents, or lab notebooks, including reaction, ADMET, and spectroscopic data.
• Cheminformatics and molecular modeling skills, such as RDKit, docking, free energy calculations, or quantum chemistry.
• Hands-on synthetic or medicinal chemistry experience at the bench.
• Publications, patents, or open-source software demonstrating scientific impact.

Work Arrangement

The role is fully on-site in the San Francisco Bay Area.

Compensation

Annual salary: $300,000–$320,000 USD.

Additional Information

Anthropic sponsors visas and states that it will make every reasonable effort to obtain a visa for candidates who receive an offer, although sponsorship may not be successful for every role or candidate. The company provides competitive compensation and benefits, optional equity donation matching, generous vacation and parental leave, flexible working hours, and office collaboration space.