Senior Staff Engineer, ML & Computational Chemistry

Eikon Therapeutics; Millbrae (CA); On-site; USD 200,000 - 242,000; Full time

Benefits offered by this job

401k with company matching

Medical/dental/vision insurance

Mental health benefits

Weeklong summer and winter holiday dow

Generous paid time off

Life/AD&D Insurance

Enhanced parental leave

Daily subsidized lunch program on-site

Job summary

Eikon Therapeutics in Millbrae, CA is seeking a Staff Software Engineer specializing in machine learning and computational chemistry to design and deploy computational solutions for high-content datasets, collaborating with biologists, chemists, microscopists, and engineers to accelerate discovery.

You will build and optimize algorithms for chemical property prediction, productionize cheminformatics tools, and contribute to AI-driven pipelines that speed early drug discovery while ensuring

Qualifications

• Strong background in machine learning, statistics, data analysis techniques and chemistry and chemical terms/concepts.
• Strong programming expertise with Python, C, C++.
• Experience with cheminformatics fundamentals and related tools (RDKit, OpenBabel).
• Practical and theoretical understanding of computational chemistry methods including docking, MD, FEP, and retrosynthetic prediction.

Responsibilities

• Design and optimize algorithms and models for chemical property prediction, compound screening, and reaction optimization.
• Deploy computational chemistry tools into production pipeline environments and ensure scalability, reliability, and performance.
• Collaborate on computational chemistry pipelines to accelerate early drug discovery with simulation, modeling, and AI.
• Work collaboratively with scientists and engineers to understand tactical needs, prototype, and then productionizesoftware to keep experiments moving forward.
• Work on multiple projects simultaneously, developing milestones and deadlines in coordination with the broader company goals.

Skills

Machine learning

Statistics

Data analysis

Python

C

C++

Cheminformatics concepts

RDKit

OpenBabel

Molecular docking

Molecular dynamics

Free energy perturbation

Retrosynthetic prediction

Problem solving

Biology basics

Communication

Teamwork

Education

Bachelor's/Master/PhD in CS/SE or related field

Tools

RDKit

OpenBabel

Job description

Eikon Therapeutics in Millbrae, CA is seeking a Staff Software Engineer specializing in machine learning and computational chemistry to design and deploy computational solutions for high-content datasets, collaborating with biologists, chemists, microscopists, and engineers to accelerate discovery.

You will build and optimize algorithms for chemical property prediction, productionize cheminformatics tools, and contribute to AI-driven pipelines that speed early drug discovery while ensuring