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Staff Software Engineer, Machine Learning and Computational Chemistry

Eikon Therapeutics · Millbrae, CA

Extracted from the posting

Base
Not stated
Remote
On-site
Stack
Python, TensorFlow, PyTorch, Jupyter

Staff-level ML engineer designing computational chemistry algorithms and pipelines for drug discovery. Cross-functional role with biologists, chemists, and engineers. Python, cheminformatics (RDKit, OpenBabel), molecular modeling.

Eikon Therapeutics is a new biopharmaceutical company employing revolutionary technology at the intersection of chemistry, engineering, computation, and biology to discover novel treatments for life-threatening diseases. Eikon’s discovery platform is built on groundbreaking innovations from its founders (Nobel Prize, 2014), culminating in the creation of microscopes which enable real time, molecular-resolution measurements of protein movement in living cells, thereby unlocking otherwise intractable classes of proteins as drug targets.

Position

As part of Eikon’s diverse team, you will interface with biologists, chemists, microscopists, and optical and automation engineers to design and deploy computational solutions that enable the exploration and quantification of Eikon’s high-content datasets. 

About You 

You are an adventurous, passionate, and creative software engineer eager to apply your talents to empower interdisciplinary scientific exploration, inaugurate a radical drug-discovery paradigm, and ultimately create novel medicines. You will bring enthusiasm, energy, intellectual curiosity, and scientific rigor to this challenge. 

What You’ll Do 

  • 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 productionize software to keep experiments moving forward. 
  • Work on multiple projects simultaneously, developing milestones and deadlines in coordination with the broader company goals. 

Qualifications 

  • Bachelor's Degree with 8 years of relevant experience or a Master’s degree with 5 years of relevant experience in Computer Science, Software Engineering, or a PhD with 2+ years of experience; or equivalent work experience.
  • Strong background in machine learning, statistics, data analysis techniques and chemistry and chemical terms/concepts. 
  • Strong programming expertise required with proficiency in languages such as Python, C, C++, etc.
  • Experience with cheminformatics fundamentals, including molecular representations, molecular fingerprints, and the tools and libraries used to analyze and manipulate chemical structures (e.g., RDKit, OpenBabel).
  • Practical and theoretical understanding of computational chemistry methods including docking, MD (Molecular Dynamics), FEP (Free Energy Perturbation), and retrosynthetic prediction applied to early drug discovery programs.
  • Ability to efficiently investigate and solve problems, from prototype development to production designs.
  • Strong Python programming expertise highly preferred.
  • Familiarity with biology and biological terms/concepts at the college freshman level preferred.
  • Excellent organizational, verbal, and written communication skills.
  • Team-oriented, flexible, able to adapt to rapidly evolving goals and challenges.

At Eikon, employee compensation also includes bonus and equity compensation, in addition to several generous benefit programs, including:​

  • 401k plan with company matching​
  • Medical (premiums covered by Eikon at 95%), dental and vision insurance (premiums covered by Eikon at 100%)​
  • Mental health and wellness benefits​
  • Weeklong summer and winter holiday shutdowns​
  • Generous paid time off and holiday policies​
  • Life/AD&D Insurance (premiums covered by Eikon at 100%) and optional supplemental employee-paid life/AD&D policies ​
  • Enhanced parental leave benefit​
  • Daily subsidized lunch program when on-site​

The expected salary range for this role is $200,000 to $241,500 depending on skills, competency, and the market demand for your expertise.

Eikon is proud to be an equal opportunity employer and will consider all qualified applicants for employment.

We are currently not accepting any new third-party agencies or firms at this time. Please do not forward unsolicited agency resumes to our website, employees or Human Resources. Eikon Therapeutics will not pay fees to any third-party agency or firm associated with unsolicited resumes.

Technologies

PythonTensorFlowPyTorchJupyterNumPyPandasGitLinux
Eikon Therapeutics
Eikon Therapeutics

Job details

TypeFull-time
Work ModeOn-site
LevelSenior
Location🇺🇸Millbrae, CA
PostedSep 01, 2026
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