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Principal Software Engineer - Computational Chemistry / Molecular Dynamics

Genesis Therapeutics

Genesis Therapeutics

Software Engineering
Burlingame, CA, USA
Posted on Nov 2, 2025

Location

Burlingame, CA

Employment Type

Full time

Location Type

Hybrid

Department

AI

Genesis Molecular AI is building a world-class software team to solve problems in drug discovery through machine learning, biophysical simulation, and computational chemistry. We are seeking a principal engineer with a deep background in computational chemistry, who is excited to help develop new medicines and play a critical role in building out our software platform.

You will

  • Build and maintain complex computational chemistry workflows for drug discovery

  • Provide technical and scientific insights to the head of engineering and head of computational chemistry on software architecture.

  • Work closely with computational chemists and CADD scientists to productionize new computational methods for molecular property prediction

  • Help scale our data infrastructure to handle billions of datapoints and hundreds of thousands of parallel QM and molecular dynamics jobs

  • Lead, mentor and coach engineers - both from chemistry and computer science backgrounds

You are

  • A deep thinker who reasons from first principles, balances attention to detail with architectural thinking, and has an investigational curiosity to find the root cause of a problem

  • Comfortable working across all levels of the software stack, building intuitive APIs and libraries for computational chemists

  • Experienced working in the fields of computational chemistry and drug discovery

  • Experienced writing production code and driving projects to completion

What we offer

  • The opportunity to work on high impact tools and products that are immediately deployed to accelerate the discovery of new medicines

  • Strong technical coworkers in AI, software, and chemistry, who all have a powerful mix of intellectual curiosity and humility. The team reads and discusses 1-2 machine learning or chemistry papers every week to stay on top of the field and inspire new ideas

  • Competitive salary and equity. Medical, dental, and vision insurance, and a 401(k) program

About Genesis Molecular AI

Genesis Molecular AI is pioneering foundation models for molecular AI to unlock a new era of drug design and development. The company’s generative and predictive AI platform, GEMS (Genesis Exploration of Molecular Space), integrates AI and physics into industry-leading models to generate and optimize drug molecules, including the breakthrough generative diffusion model Pearl for structure prediction. Genesis has raised over $300 million from leading AI, tech and life science-focused investors, signed multiple AI-focused research collaborations with major pharma partners, and is deploying GEMS to advance an internal therapeutics pipeline for a variety of high-impact targets.

Genesis is headquartered in Burlingame, CA, with a fully integrated laboratory in San Diego. We are proud to be an inclusive workplace and an Equal Opportunity Employer.