Staff / Principal Software Engineer - Computational Chemistry / Molecular Dynamics

Position Overview

• Location Type: Remote
• Employment Type: Full-time
• Salary: (Salary not provided)

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 looking for engineers excited to help develop new medicines and play a critical role in building out our software platform.

Requirements

• Deep thinking and reasoning from first principles
• Ability to balance attention to detail with architectural thinking
• Investigational curiosity to find the root cause of problems
• Comfortable working across all levels of the software stack
• Experience building intuitive APIs and libraries
• Experience in computational chemistry and drug discovery
• Experience writing production code and driving projects to completion

Responsibilities

• Build and maintain complex computational chemistry workflows for drug discovery
• 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

Company Information

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 tech investors.