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Kingldore
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lit-pcba-vs

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Tags:
chemistry
molecular-docking
virtual-screening
drug-discovery
gnina
lit-pcba
DOI:
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pandas
Polars
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lit-pcba-vs

Commit History

  1. Delete the legacy tar.gz archives; the zip archives replace them.

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  1. add VDR.zip (converted from VDR.tar.gz)

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  2. add TP53.zip (converted from TP53.tar.gz)

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  3. add PPARG.zip (converted from PPARG.tar.gz)

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  6. add MTORC1.zip (converted from MTORC1.tar.gz)

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  7. add MAPK1.zip (converted from MAPK1.tar.gz)

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  8. add KAT2A.zip (converted from KAT2A.tar.gz)

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  9. add IDH1.zip (converted from IDH1.tar.gz)

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  10. add GBA.zip (converted from GBA.tar.gz)

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  15. add ADRB2.zip (converted from ADRB2.tar.gz)

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  1. Deleted the "raw" files

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  1. Upload README.md with huggingface_hub

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  2. Upload litpcba_gnina_scores.parquet with huggingface_hub

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  1. Delete files lit-pcba-vs/VDR_3.tar.gz with huggingface_hub

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  13. Delete files lit-pcba-vs/PKM2_3.tar.gz with huggingface_hub

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