Principal Software Engineer - Computational Chemistry / Molecular Dynamics

Genesis Therapeutics 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

Genesis Therapeutics is unifying AI and biotech to discover novel and breakthrough treatments for patients with severe and devastating conditions. Genesis was founded on groundbreaking molecular ML research and since has established itself as the industry leader in AI for small molecule drug discovery. Our team of accomplished biotech leaders and expert drug hunters joins forces with deep learning researchers and software engineers who are pioneering predictive and generative AI technologies for molecules.

Our team has created the industry's most advanced molecular AI platform called GEMS (Genesis Exploration of Molecular Space), to accelerate and optimize small molecule drug discovery and to enable the discovery of novel first-in-class and best-in-class small molecule drugs for challenging and/or undruggable targets. 

The company has leveraged GEMS to build an internal pipeline with multiple programs against high-value targets, including data-poor and canonically undruggable targets where GEMS is uniquely advantaged. In addition, Genesis has signed AI-focused platform collaborations with major pharmaceutical companies, including most recently Incyte Corporation (Feb 2025) and Gilead Sciences (Sept 2024).

We raised a $200M series B in August 2023, and have raised over $300M in funding from top technology and biotech investors, including Andreessen Horowitz, Rock Springs Capital, T. Rowe Price, Fidelity, Radical Ventures, NVentures (NVIDIA's VC arm), BlackRock, and Menlo Ventures. 

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.