ORNL-Chi-Geometry

Weaver, Rylie [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (0000000252057602); Lupo Pasini, Massimiliano [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (0000000249806924)

doi:10.11578/dc.20250704.1

DOE OSTI · code-157597

ORNL-Chi-Geometry

Weaver, Rylie [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (0000000252057602)·Lupo Pasini, Massimiliano [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (0000000249806924)

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Abstract

Library for benchmarking neural network models on classification tasks for chirality detection in atomistic structures of organic compounds.

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Weaver, Rylie [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (0000000252057602), Lupo Pasini, Massimiliano [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (0000000249806924). 2025-07-04. ORNL-Chi-Geometry. https://doi.org/10.11578/dc.20250704.1

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