SandboxAQ is hiring a
Computational Chemistry Software and Methods Developer

Summary

Join SandboxAQ's AI Simulation team as a methods developer in the Drug Discovery team to contribute to the discovery of novel innovative medicines by developing computational chemistry techniques.

Requirements

• Ph.D. in computational biophysics, chemistry, physics or a related discipline
• Experience in small molecule and biophysical simulations related to drug discovery
• Theoretical understanding of statistical mechanics; statistics; and sampling methods such as FEP, metadynamics, or similar
• Familiarity with relevant software packages and languages, including those in all-atom MD, small molecule software, and AI libraries (Python, Bash, OpenMM, RDKit, Pandas, OpenFF, Scikit-learn, PyTorch, etc)
• Experience using Git version control, submitting pull requests, unit testing, code profiling, and cloud or high-performance computing
• Strong communication skills to work closely with a team to develop technology and to communicate in an accessible manner to an interdisciplinary team
• Passion for computational and data-driven methods in chemistry and biophysics
• A track record of driving projects to completion on planned deadlines of deliverables

Responsibilities

• Develop computational solutions to address unmet drug discovery needs
• Work both independently and with the Simulation & Optimization development team to solve research questions for next-generation technologies in drug discovery
• Apply your expertise in small molecule or biologics modeling to drive methods development decisions
• Present findings and progress in MD, FEP, molecular docking, quantum, and AI methods to an interdisciplinary team and external collaborators
• Maintain and improve existing drug discovery methods and software
• Use best coding practices and planning tools to raise issues and resolve tickets
• Work in close collaboration with AI experts and cross-functional teams to prototype and scale cutting-edge, impactful drug design solutions
• This is an opportunity to directly contribute to the discovery of novel innovative medicines by developing computational chemistry techniques that will support experienced multidisciplinary drug hunters

Preferred Qualifications

• Experience writing and optimizing C++ code
• Prior experience working with pharmaceutical companies or on drug discovery projects

Benefits

• Competitive salaries
• Stock options depending on employment type
• Generous learning opportunities
• Medical/dental/vision
• Family planning/fertility
• PTO (summer and winter breaks)
• Financial wellness resources
• 401(k) plans