Machine Learning Cheminformatics Engineer, Drug Discovery

Ready to join the AQ era?

SandboxAQ is solving challenging problems with AI + Quantum for positive impact. We partner with global leaders in government, academia, and the private sector to identify applications that would benefit from quantum-based applications to current and future commercial challenges. We engage with customers early and throughout the development process to improve market fit.

Our team’s unique approach enables cross-pollination across a diverse range of fields, from physics, computer science, neuroscience, mathematics, cryptography, natural sciences and more! Our success comes from coalescing diverse talent to create an environment where experimental thinking and collaboration yield breakthrough AI + Quantum solutions. Join a culture where thought leadership, diverse talent, employee engagement, and technological impact will create the next tech uproar.

We are deeply committed to education as a means to advance quantum solutions and computing initiatives. We invest in future talent through internship programs, research papers, developer tools, textbooks, educational talks/events and partnerships with universities/talent hubs to attract multi-disciplinary talent. Our hope is to inspire people from all walks of life to be prepared for the quantum era and encourage a path in STEM.

About the Role

SandboxAQ’s AI Simulation group partners with global research teams to discover new drugs and materials using AI and physics-based computational solutions. We are seeking an experienced researcher to drive innovative and impactful projects leveraging cheminformatics, machine learning, and computational chemistry for drug discovery. The successful candidate will demonstrate strong abilities in cheminformatics and/or bioinformatics, including knowledge of established techniques and cutting-edge machine learning methods for modeling molecular properties and interactions with complex systems. They will also have experience with scientific programming and data science. These skills will be leveraged within a seasoned, agile, and multi-disciplinary group, including drug hunters with an excellent track record in drug discovery, computational chemists, physicists, AI experts, and software engineers.

What You’ll Do

• Design and implement software that leverages informatics, machine learning, and computational chemistry to address unmet needs in drug discovery
• Contribute to ongoing research leveraging physics-based simulation, deep learning, and knowledge graphs for drug discovery applications
• Work closely with an interdisciplinary team of scientists to identify hits and optimize leads in ongoing drug discovery programs
• Leverage Bayesian optimization and active learning to improve experimental designs and make data-driven decisions 
• Collaborate with computational chemistry experts and cross-functional teams to rapidly prototype and scale …