AI-Driven Computational Chemist for Drug Discovery

Axiom Bio; San Francisco (CA); On-site; USD 120,000 - 180,000; Full time

Job summary

Axiom Bio is seeking a computational chemist/ML specialist to help build models for molecular property prediction and to curate large-scale chemistry datasets.

You will collaborate with ML researchers, work with RDKit and Python, and analyze data from thousands of compounds to extract insights that guide drug discovery and safety assessments. This role blends chemistry, biology, and ML in a fast-evolving platform.

Qualifications

• Requires advanced degree or industry experience in drug discovery
• Strong Python and ML fundamentals with ability to apply them to chemistry
• Experience analyzing large chemical datasets and drawing data-driven conclusions

Responsibilities

• Collaborate with ML researchers to develop models for molecular property prediction
• Clean, curate, and process large-scale chemistry datasets across hundreds of thousands of compounds
• Analyze model outputs to identify high-performing chemotypes and guide model refinement
• Partner with drug discovery teams to interpret predictions and accelerate decision-making
• Shape product direction from customer feedback and real-world usage at the bench of chemistry and ML

Skills

Python

RDKit

NumPy

Pandas

Machine Learning

Education

Advanced degree in chemistry, cheminformatics, or computational chemistry

Tools

RDKit

SQL

Job description

Axiom Bio is seeking a computational chemist/ML specialist to help build models for molecular property prediction and to curate large-scale chemistry datasets.

You will collaborate with ML researchers, work with RDKit and Python, and analyze data from thousands of compounds to extract insights that guide drug discovery and safety assessments. This role blends chemistry, biology, and ML in a fast-evolving platform.