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Could the project use a graph structure to describe interatomic distance information? #93

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Littletoyone opened this issue Apr 8, 2024 · 0 comments

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@Littletoyone
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Thank you for your work, this project provides great results and inspiration! This work seems to have chosen to base its processing on discrete graph structures on the QM9 dataset, so I'm curious if this work has using GNN to describe inter-atomic distances information in the QM9 dataset?because I didn't see the code calling the file qm9.sdf in the processing part of the dataset. which is the molecular structures file for QM9 dataset.

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