AI Scientist for Safer Drug Design

Axiom Bio; San Francisco (CA); On-site; USD 180,000 - 280,000; Full time

Job summary

Axiom Bio in San Francisco seeks a senior scientist to build and apply AI agents that assist drug discovery. You will combine computational chemistry, ML, and experimental data to guide molecule design and optimize safety and efficacy.

You will design robust agent workflows and validate predictions against experimental results to accelerate therapeutic development. Collaborating with chemists and data scientists, you will develop scalable AI-powered decision tools, integrate with synthesis and

Qualifications

• Advanced degree in chemistry, computational chemistry, cheminformatics, or related field.
• Experience applying ML to chemistry and drug discovery.
• Strong Python proficiency and ability to work across disciplines.

Responsibilities

• Collaborate with drug discovery scientists to build AI agents that propose and evaluate safer, more effective molecules.
• Equip agents with molecular modeling and cheminformatics tools to optimize potency, safety, and drug-like properties.
• Develop workflows that analyze chemical and biological data and guide design cycles.
• Enable agents to search literature and patents, synthesize evidence, and prioritize informative experiments.
• Integrate agents with synthesis and assay pipelines to learn from results and iteratively improve designs.
• Evaluate agent reasoning against experimental data and improve tools.
• Translate successful agents into Translate and workflows used by researchers and partners.

Skills

Python

RDKit

NumPy

pandas

SQL

Machine learning

Cheminformatics

Agent-based workflows

Reinforcement learning

Scientific software development

Education

PhD or MS in chemistry / computational chemistry / cheminformatics

Tools

RDKit

NumPy

pandas

SQL

LLM APIs

agent tooling

reinforcement learning toolkits

Job description

Axiom Bio in San Francisco seeks a senior scientist to build and apply AI agents that assist drug discovery. You will combine computational chemistry, ML, and experimental data to guide molecule design and optimize safety and efficacy.

You will design robust agent workflows and validate predictions against experimental results to accelerate therapeutic development. Collaborating with chemists and data scientists, you will develop scalable AI-powered decision tools, integrate with synthesis and