Cheminformatics and Machine Learning Intern

Genesis Molecular AI is bringing together a world-class computational team to build out the industry's fastest and most accurate small molecule property predictions, by combining the power of machine learning and physics-based methods. We are seeking early career scientists skilled in developing and applying machine-learning, physics and cheminformatics methodologies to help drive forward our challenging drug discovery programs.

This is an opportunity to operate as a full member of our ML and cheminformatics team and to make an impact on our internal ML and physics-based platform which drives our drug-discovery programs.

Your work will likely involve developing novel approaches to potency and ADME/PK property prediction, and prototyping integration with state-of-the-art tools for molecular modelling.

• Lead a novel research project from ideation to conclusion, focused on improving our internal tools for potency and ADME prediction.

• Prototype novel approaches from recent publications. Design and execute large-scale experiments to validate promising avenues, using internal and public benchmarks.

• Work closely with our computer-aided drug discovery scientists and medicinal chemists to develop, benchmark, and deploy improvements to our drug discovery platform as it is applied to our internal and partnered drug discovery programs.

• A graduate student with a proven track record of developing cheminformatics tools and/or physics methods in contexts relevant to drug discovery.

• Experienced Python programmer with proven ability to navigate and contribute to complex codebases.

• Proficient ML practitioner, familiar with common architectures (understanding their strengths and tradeoffs) and with proven expertise in troubleshooting real-world applications.

• A detail-oriented data scientist skilled in managing diverse data sources. Familiarity with RDKit, Openeye and other cheminformatics libraries is a plus.

• Passionate about making a direct impact on drug-discovery programs and interacting with a diverse team of ML practitioners, medicinal chemists and drug-discovery scientists.

• The opportunity to work on challenging ML and cheminformatics problems that will directly impact our programs and inform the company’s mission to accelerate drug discovery.

• Dedicated mentorship from a senior researcher on our team who will partner with you, guide your project, and champion your growth.

• A world-class, mission-driven team of good-hearted people across software, machine learning, computational chemistry, medicinal chemistry, and biology.

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