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Purple Fox

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#graph neural networks Open access Sep 2026

PREreview of "Benchmark Label Definition, Not Model Capability, Explains a Machine-Learning Advantage over TD-DFT for λmax Prediction"

This Zenodo record is a permanently preserved version of a PREreview. You can view the complete PREreview at https://prereview.org/reviews/22983291. General assessment This manuscript addresses an important and underappreciated problem in computational chemistry and molecular machine learning: apparent differences in p...

Purple Fox · 0 citations
#graph neural networks Open access Sep 2026

PREreview of "Benchmark Label Definition, Not Model Capability, Explains a Machine-Learning Advantage over TD-DFT for λmax Prediction"

This Zenodo record is a permanently preserved version of a PREreview. You can view the complete PREreview at https://prereview.org/reviews/22983291. General assessment This manuscript addresses an important and underappreciated problem in computational chemistry and molecular machine learning: apparent differences in p...

Purple Fox · 0 citations

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