Principal Software Engineer - Computational Chemistry / Molecular Dynamics

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.