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plinder-org / plinder

Protein Ligand INteraction Dataset and Evaluation Resource
https://plinder.sh
Apache License 2.0
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Getting Plinder-PL50 subdataset #21

Closed VectorShi closed 3 months ago

VectorShi commented 3 months ago

Great work!

Is there any available way to fetch Plinder-PL50, which is utlized to test diffdock in your paper, without runing your pipeline?

I will be very grateful.

Best, Liang

VectorShi commented 3 months ago

For example, can you provide a parquet file similar to "splits_metaflow_config_split_v2_split_multi_graph_yaml.parquet"

patrickbryant1 commented 3 months ago

Yes, for all main splits please. It is quite difficult to use this data at the moment.

OleinikovasV commented 3 months ago

@VectorShi - please, see the reply here: https://github.com/plinder-org/plinder/issues/20#issuecomment-2283932341

We will keep updating on the improvements for data loading and further splits in the ISSUE https://github.com/plinder-org/plinder/issues/20 , hence will close this for now.

VectorShi commented 3 months ago

Thank you! It's really a great help.