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SupraBench
/

SupraDB-CavityScore

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supramolecular-chemistry

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SupraDB-CavityScore / features.csv

Commit History

append full-GEOM 37-d features (~402k new aISS-docked rows)

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yijunma commited on 3 days ago

top100 gap-fill: 43 no_pose molecules from provided CSV features

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mtybilly commited on Jun 25

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mtybilly commited on Jun 25

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mtybilly commited on Jun 25

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mtybilly commited on Jun 24

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mtybilly commited on Jun 17

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mtybilly commited on Jun 17

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mtybilly commited on Jun 15

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mtybilly commited on Jun 15

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mtybilly commited on Jun 14

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mtybilly commited on Jun 14

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mtybilly commited on Jun 13

Add matched identity (name/smiles/source) columns

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mtybilly commited on Jun 12

Add top-300 GLIDE dock subset (185 new) -> 244 total

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mtybilly commited on Jun 12

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mtybilly commited on Jun 12