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SPICE does not appear in the 'machine learning' collection on QCArchive

Open leifjacobson opened this issue 2 years ago • 2 comments

Evidently there is a 'machine learning' 'tag' on QCArchive. It could increase visibility of your dataset.

https://qcarchive.molssi.org/apps/ml_datasets/

These can also be found by this command client.list_collections(tag="machine learning") as described in the recipes.

leifjacobson avatar Sep 30 '22 17:09 leifjacobson

Thank you for pointing that out. @jchodera brought it up with @bennybp and we will try to update as soon as we can.

pavankum avatar Sep 30 '22 23:09 pavankum

We'd love to make the dataset available via the QCArchive Machine Learning Datasets Repository as well! I think it also takes extra steps for @bennybp to build those HDF5 files for download manually at this point, however.

jchodera avatar Oct 01 '22 15:10 jchodera