Job Description & Details
This is a heavy-hitting scientific software role bridging atomic-level molecular simulation with drug discovery pipelines in New York City. If you like building high-performance computational workflows that directly empower medicinal chemists and machine learning specialists to design candidate therapeutics, this is where you want to be.
What You'll Actually Be Doing
You'll spend your days designing cheminformatics algorithms, building large-scale data systems, and engineering high-performance scientific workflows. The work is deeply collaborative—you'll sit shoulder-to-shoulder with biologists, chemists, and ML engineers to prototype visualization tools and architect scalable backend services. You're not just writing throwaway scripts; you're owning the lifecycle, support, and refinement of mission-critical discovery tools.
The Core Tech Stack
You need absolute fluency in Python and C++, alongside a deep mastery of Linux and UNIX environments. More importantly, you must have hands-on experience with cheminformatics packages covering virtual screening, docking, molecular modeling, or large-scale chemical databases. If you've also touched workflow engineering or high-performance data-parallel computing for cluster architectures, you're speaking their exact language.
Interview Expectations
Expect to be grilled on your ability to optimize heavy computational pipelines and manage massive scientific datasets efficiently in C++ or Python. They'll likely ask you how you approach designing an extensible cheminformatics tool that needs to handle millions of molecular structures without bottlenecking, looking to see if you can balance algorithmic elegance with raw hardware performance.
Application Advice
Forget the generic tech buzzwords and tailor your resume directly to the scientific computing domain. Make sure terms like cheminformatics, molecular modeling, virtual screening, and large-scale chemical databases jump off the page alongside your concrete Python and C++ achievements. Highlight any doctoral or postdoctoral software engineering work involving simulation pipelines to instantly clear their initial technical filter.