Added ani docs

valence-labs · Oct 4, 2023 · 7045e6e · 7045e6e
1 parent 5df2d5e
commit 7045e6e
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/openqdc/datasets/ani.py b/src/openqdc/datasets/ani.py
@@ -59,7 +59,8 @@ def read_raw_entries(self):
 
 class ANI1CCX(ANI1):
     """
-
+    ANI1-CCX is a dataset of 500k conformers subsampled from the 5.5M conformers of ANI-1X dataset. The selected
+    conformations are then labelled using a high accuracy CCSD(T)*/CBS method.
 
     Usage
     ```python