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Computational Chemistry Research Scientist (Computational Drug Design)

Boston, MA, US💼 Full-time💰 $108,000–$108,000🗓 2026-09-29 → 2026-09-30

Core

Apply computational chemistry, cheminformatics, data science, and AI-enabled methods to accelerate hit/lead identification and optimization in drug discovery.

Role type

Senior IC computational chemistry research scientist (drug design)

Builds

New chemical entities and optimized drug candidates

Domain

Biotechnology / Computational Drug Design

Deliverable

production ML models

Required skills

Physics-based molecular modeling, Generative models, Machine learning, Structure-based drug design, Python scripting, Cheminformatics, Data analysis, Drug discovery concepts

Preferred skills

Experience with commercial/open-source molecular modeling software, AI method development, Cross-functional collaboration

Technologies

Python, Molecular modeling software, Generative models, Machine learning frameworks

Responsibilities

Design new chemical entities using physics-based methods and AI; Develop and share computational workflows; Collaborate with chemists and biologists on project objectives; Improve global R&D capabilities through cross-group collaboration

Seniority

Mid-level (0-3 years post-PhD), hands-on IC

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