Switch stack and epochs in json for well-performing default

ORNL · Dec 28, 2024 · 26b196e · 26b196e
1 parent a9f3652
commit 26b196e
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/examples/LennardJones/LJ.json b/examples/LennardJones/LJ.json
@@ -21,7 +21,7 @@
       "periodic_boundary_conditions": true,
       "global_attn_engine": "",
       "global_attn_type": "",
-      "mpnn_type": "EGNN",
+      "mpnn_type": "DimeNet",
       "radius": 5.0,
       "max_neighbours": 5,
       "int_emb_size": 32,
@@ -61,7 +61,7 @@
       "output_names": ["graph_energy"]
     },
     "Training": {
-      "num_epoch": 15,
+      "num_epoch": 25,
       "batch_size": 64,
       "perc_train": 0.7,
       "patience": 20,