Machine Learning Chemist for De Novo Molecular Design

Aralez Bio; Berkeley (CA); On-site; USD 165,000 - 180,000; Full time

Benefits offered by this job

Medical/dental/vision insurance

401k

Flexible Spending Account

Paid time off

Weekly catered lunch

Professional development opportunities

Annual company retreat

Job summary

Aralez Bio is seeking a Data Scientist to power the next phase of our R&D platform. You will design, deploy, and own ML models that predict chemical properties and guide de novo design of small molecules and peptides.

You’ll build scalable data pipelines and collaborate closely with laboratory scientists to translate experiments into actionable predictions. You will lead ML infrastructure development, leverage chemoinformatics tools, and clearly communicate results to technical and non‑technical

Qualifications

• Ph.D. or Master’s in Computational Chemistry, Chemoinformatics, or a related field with 2–4 years of post‑grad experience.
• Experience building and deploying ML/DL models to predict chemical properties for de novo design.
• Proficiency with chemoinformatics toolkits (RDKit) and molecular descriptors, fingerprints, and data curation.
• Fluent in Python and data science stacks; hands-on SQL and scalable data pipelines.
• Strong communication and ability to work with laboratory scientists to translate questions into ML solutions.
• Ability to lead initiatives independently and deliver structured data pipelines.
• Experience with data visualization to communicate results to technical and non‑technical stakeholders.

Responsibilities

• Design, build, and deploy machine learning models to predict chemical properties and support de novo design.
• Own scalable data pipelines that ingest, curate, and prepare experimental screening data for ML.
• Partner with laboratory scientists to translate questions into ML approaches and prioritize compounds for validation.
• Develop and improve ML infrastructure, including training, evaluation, retraining, and monitoring.
• Apply chemoinformatics tools and representations to engineer features and improve predictive accuracy.
• Communicate insights through clear visualizations and presentations for diverse stakeholders.
• Contribute to the ML platform’s technical direction with cross‑functional collaboration.

Skills

Python

Chemoinformatics

Data visualization

Communication

Independent work

ML model deployment

Small molecule design

Education

PhD/MS in Computational Chemistry

Tools

RDKit

REINVENT

SQL

Job description

Aralez Bio is seeking a Data Scientist to power the next phase of our R&D platform. You will design, deploy, and own ML models that predict chemical properties and guide de novo design of small molecules and peptides.

You’ll build scalable data pipelines and collaborate closely with laboratory scientists to translate experiments into actionable predictions. You will lead ML infrastructure development, leverage chemoinformatics tools, and clearly communicate results to technical and non‑technical