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Scientific Machine Learning Engineer

Schrödinger • New York, NY, US • published 2026-10-01 03:58:49.943173

Description

We're seeking a **Scientific Machine Learning (ML) Engineer** to join us in our mission to transform the discovery of therapeutics and materials! Our Hit Discovery team builds computational workflows that combine machine learning with chemical physics to efficiently evaluate billions of potential drug molecules. As a member of this group, you'll collaborate with research scientists on improving the accuracy and applicability of these methods and turn them into robust, scalable software products. **Who will love this job:** * An applied problem solver who's excited about addressing challenging problems in computational chemistry and thrives when working with large codebases and data sets * A growth\-oriented engineer who's eager to adopt best practices like automated testing and code reviews * A collaborative communicator who enjoys bridging the gap between ML, software engineering, and scientific research **What you'll do:** * Design, build, and test scalable software for ML virtual screening pipelines, integrating ML applications with physics\-based backends (such as docking and free energy perturbation) to optimize hit and hit\-to\-lead campaigns * Work closely with scientists to...

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