Update generator.py

globus-labs · Oct 18, 2023 · a0bd1bf · a0bd1bf
1 parent c9271aa
commit a0bd1bf
Showing 1 changed file with 3 additions and 2 deletions.
diff --git a/mofa/generator.py b/mofa/generator.py
@@ -4,8 +4,7 @@
 import ase
 
 from model import MOFRecord
-from difflinker_sample import 
-
+from difflinker_sample import sampler
 
 def train_generator(
         starting_model: str | Path,
@@ -37,4 +36,6 @@ def run_generator(
     Returns:
         3D geometries of the generated linkers
     """
+    sampler(nodes: List[str]=['CuCu'], n_atoms_list)
+
     raise NotImplementedError()