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Theoretical and Computational Chemistry

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Foundation machine learning model

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Theoretical and Computational Chemistry

A Foundation Model for Accurate Atomistic Simulations in Drug Design

Thomas Plé, Olivier Adjoua, Anouar Benali, Evgeny Posenitskiy, Corentin Villot, Louis Lagardère, Jean-Philip Piquemal

Version 2 posted 15 April 2025

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