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Add pcqm4m multi-gpu example: large scale graph regression #9070

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merged 25 commits into from
Jun 26, 2024

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Kh4L
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@Kh4L Kh4L commented Mar 19, 2024

This PR adds OGB LSC example pcqm4m https://ogb.stanford.edu/docs/lsc/pcqm4mv2/ , large scale graph regression: predicting the HOMO-LUMO energy gap in electronvolt (eV) given 2D molecular graphs.

Most of the code is adapted from the https://github.com/snap-stanford/ogb repository.

@Kh4L Kh4L marked this pull request as ready for review March 30, 2024 20:19
@Kh4L Kh4L requested a review from wsad1 as a code owner March 30, 2024 20:19
@puririshi98
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@akihironitta let us know if anything else needed to get this merged?

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@akihironitta akihironitta left a comment

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This is great!

In df01ea3, I fixed invalid code and simplified the script for readability and hackability by addressing linter errors, removing too verbose efficiency measurements.

LGTM once the CI is green, but feel free to ask Matthias for another review.

@puririshi98 puririshi98 enabled auto-merge (squash) June 26, 2024 19:51
@puririshi98 puririshi98 merged commit 7100e88 into pyg-team:master Jun 26, 2024
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4 participants