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Filter non used sample values in QM9 #316

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Apr 18, 2024
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RaulPPelaez
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Samples provided by the QM9 dataset included a bunch of unused tensors, like "edge_index".
This was slowing down training a bit by adding overhead when building batches.
This PR removes them via a pre_transform, leaving only "pos", "z" and "y".

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@guillemsimeon guillemsimeon left a comment

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lgtm

@RaulPPelaez RaulPPelaez merged commit 0ed2e7c into torchmd:main Apr 18, 2024
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2 participants