Add chemical_features

chemical_features/README.md

@@ -0,0 +1,24 @@
+# Chemical Feature Layer
+
+This folder contains the public compound-level chemistry feature table used to connect Z-Screen biological measurements to compound and building-block chemistry.
+
+## File
+
+-   `compound_chemistry_feature_master.parquet`
+
+## Contents
+
+The table is keyed by `public_compound_id` and includes public building-block identifiers, support metadata, molecular descriptors where available, and numeric chemistry embeddings. In the current release audit, the table contains 144,645 rows and 961 columns.
+
+Major feature groups include:
+
+-   Public compound and building-block identifiers.
+-   Cell-line and library support metadata.
+-   Formula and InChIKey fields where available.
+-   Whole-molecule Chemeleon embedding features.
+-   Whole-molecule ChemBERTa embedding features.
+-   Per-building-block Chemeleon embedding feature blocks for BB0 through BB4.
+
+## How To Use
+
+This layer supports chemical-neighborhood analysis, SAR-like enrichment, analog search, and linking biological response patterns to public compound/building-block IDs. It is most appropriate for prioritization and hypothesis generation.

chemical_features/compound_chemistry_feature_master.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d250f889dd9814c44cbce8f30a998f447a00829d6633acd2f1d363102392fc69
+size 295191655