Update README.md

README.md

@@ -16,4 +16,10 @@ configs:
     path: data/train-*
 ---
 
-Pubchem dataset, all molecules has hydrogen, disconnected fragments, larger than 100 atoms have been filtered. 
+# PubChem Dataset(filtered)
+
+This dataset contains molecules from the PubChem database, with the following filtering criteria applied:
+
+- All molecules include hydrogen atoms.
+- Disconnected fragments have been removed.
+- Only molecules with more than 100 atoms have been retained.