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THU-ATOM
/

DrugCLIP_data

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Dataset card Files Files and versions

bgao95 commited on Apr 25, 2025

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@@ -34,11 +34,8 @@ This repository hosts benchmark datasets, pre-computed molecular embeddings, pre
 - Versions included:
   - **8-fold** version of the full ChemDiv library
   - **6-fold** version of the full ChemDiv library
-  - **6-fold** version of a **filtered ChemDiv** library
-All molecular embeddings are stored as Python pickled (`.pkl`) files, each containing:
-- `name_list`: A list of `[hitid, SMILES]`
-- `embedding_list`: A list of 128-dimensional float vectors
 ---

 - Versions included:
   - **8-fold** version of the full ChemDiv library
   - **6-fold** version of the full ChemDiv library
+  - **6-fold** version of a filtered ChemDiv library
 ---