Scientific Software Developer II – Modeler

OpenEye, Cadence Molecular Sciences

Computational Chemist/Cheminformatician developing advanced MD simulation techniques on OpenEye’s Orion platform. Collaborating with pharmaceutical industry for drug discovery projects utilizing cloud computing.

Posted 6/17/2026full-timeBoston • Massachusetts, New Mexico • 🇺🇸 United StatesJunior💰 $101,500 - $188,500 per yearWebsite

Tech Stack

Tools & technologies

Python

About the role

Key responsibilities & impact

Extend OpenEye’s programming toolkits by developing and implementing new and useful scientific and technical features to aid customers in developing bespoke solutions.
Explore methods for further enhancing OpenEye’s virtual screening platform (including OMEGA, ROCS, FastROCS, ROCS X, OEDocking).
Apply chemistry/cheminformatics expertise with ML experts to build robust, scalable models to support data-driven decision making.
Work on retrospective and prospective projects both internally and with collaborators to validate methodologies.
Work with Orion project team to further optimize compound design workflows in Orion.

Requirements

What you’ll need

PhD (or equivalent experience) in computational chemistry, chemistry, cheminformatics, or related field with 0 – 3 years relevant experience
Knowledge of some traditional computational chemistry approaches such as docking, virtual screening, molecular modeling, etc.
Programming expertise, ideally in c++ and/or python preferably with experience using AI coding agents
Experience in or desire to learn about the pharmaceutical industry
Strong desire to find practical solutions to challenging problems
Demonstrated ability to work both as part of a team and independently.
Experience with OpenEye software/toolkits (a PLUS)
Experience with synthetically accessible, pharmaceutically relevant generative chemistry (a PLUS)

Benefits

Comp & perks

paid vacation and paid holidays
401(k) plan with employer match
employee stock purchase plan
a variety of medical, dental and vision plan options
incentive compensation: bonus, equity, and benefits

ATS Keywords

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Applicant Tracking System Keywords

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Hard Skills & Tools

computational chemistrycheminformaticsmolecular modelingdockingvirtual screeningC++PythonAI coding agentsgenerative chemistry

Soft Skills

problem solvingteamworkindependence

Certifications

PhD in computational chemistryPhD in chemistryPhD in cheminformatics