Software Developer — Scientific Computing for Drug Discovery

The Opportunity

Designing highly selective drugs starts with understanding how biologically important molecules move and interact atom by atom. That understanding is only as reliable as the software used to simulate, screen, and analyze them. This role sits at that junction. You will build the scientific workflows, cheminformatics tools, and data systems that chemists, biologists, and machine learning specialists rely on to turn large-scale computation into candidate therapeutics.

The client is a computational research organization in New York City. It applies molecular simulation, machine learning, and specialized high-performance hardware to drug discovery, both in-house and with outside partners.

The Research Environment

Software developers here work in close contact with chemists, biologists, computer scientists, and machine learning engineers and researchers. The tools they build are central to the scientific effort, not peripheral to it. The computational base pairs specialized, large-scale computing infrastructure with high-speed commodity hardware. The resulting software supports both internal discovery programs and programs run jointly with collaborators.

What You’ll Do

Specific assignments vary. Representative work includes:

• Design cheminformatics algorithms and turn them into robust, usable tools.
• Build high-performance scientific workflows for computationally demanding research.
• Develop systems for managing and analyzing scientific data at large scale.
• Architect scalable backend services that underpin the team’s computational work.
• Prototype and deliver visualization software that helps scientists interpret their results.
• Partner with researchers and engineers across chemistry, biology, computer science, and machine learning on the software and infrastructure behind the client’s drug discovery and AI programs.
• Own the ongoing support and refinement of the tools and systems you create.

What You Bring

• Strong programming ability in Python and C++
• Fluency with Linux/UNIX tools
• Substantial hands-on work with Cheminformatics software packages, for example in Virtual Screening and Docking, Computer-Aided Small Molecule Design, Molecular Modeling, or engineering Large-Scale Chemical Databases
• Curiosity, range, and a demonstrated record of accomplishment. The client weighs these qualities above specialized knowledge in any of the areas below.
• Helpful additional expertise: Workflow Engineering, software development for Cluster Architectures, High-Performance Data-Parallel Computing, and Systems Software

Paths Into This Role

Developers with training in Computational Chemistry, Cheminformatics, Computer Science, Computational Biophysics, or Scientific Computing will find much of that background put to use here. Candidates whose doctoral or postdoctoral work centered on building research software, running large-scale simulations, or engineering molecular data pipelines will recognize the problems this team works on.

Compensation & Total Rewards

• Annual base salary of $250,000–$600,000. The client sets the final figure based on factors including prior experience and educational background.
• Variable compensation through sign-on and year-end bonuses.
• Substantial benefits, including relocation and immigration assistance.
• Hybrid schedule: 3 days on-site, 2 days remote

Joining StaffRight Associates

When you partner with StaffRight Associates in your search for your next role, you’re doing more than pursuing a job, you’re aligning yourself with a team of experts committed to placing top-tier talent in truly impactful positions. We take pride in fostering professional growth and connecting forward-thinking individuals with organizations that value innovation and excellence. We look forward to showcasing your expertise in a way that resonates with our clients and opens the door to meaningful opportunities.