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Theoretical and Computational Chemistry

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Marc T. Lehner

2 results in Authors: Marc T. Lehner

Theoretical and Computational Chemistry

DASH Properties: Estimating Atomic and Molecular Properties from a Dynamic Attention-Based Substructure Hierarchy

Marc T. Lehner, Paul Katzberger, Niels Maeder, Gregory A. Landrum, Sereina Riniker

Version 1 posted 11 June 2024

233

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Theoretical and Computational Chemistry

lwreg: A Lightweight System for Chemical Registration and Data Storage

Gregory A. Landrum, Jessica Braun, Paul Katzberger, Marc T. Lehner, Sereina Riniker

Version 1 posted 03 July 2024

623

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