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Moleculenet data splits #40

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ecvgit opened this issue Aug 26, 2021 · 3 comments
Open

Moleculenet data splits #40

ecvgit opened this issue Aug 26, 2021 · 3 comments

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@ecvgit
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ecvgit commented Aug 26, 2021

Is it possible to get the CSVs of Moleculenet data splits? I know it is possible to get it through the API, but for some reason
dc.molnet.load_muv(splitter='random') takes a long time (few hours)! It would be nice to have this shared as a csv.

@rbharath
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rbharath commented Sep 8, 2021

It would definitely be useful to provide CSVs of splits! It's something we haven't gotten around to, but if anyone is interested in helping, please get in touch (the work will earn co-authorship on the upcoming MoleculeNet2 manuscript)

@ecvgit
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ecvgit commented Sep 8, 2021

I generated the CSVs couple of days back. Would be glad to share it. Should I create a PR adding the CSVs to here? https://github.com/deepchem/deepchem/tree/master/datasets

@rbharath
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rbharath commented Sep 8, 2021

@ecvgit Great! Could you contribute it to this repository? This is probably the correct home for the time being

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