From ffac10bcc565e63e31472a29999f8c15ebd53a80 Mon Sep 17 00:00:00 2001 From: Gaurav S Deshmukh Date: Thu, 21 Sep 2023 19:10:50 -0400 Subject: [PATCH] Blank change --- src/data.py | 22 +++++++++++----------- 1 file changed, 11 insertions(+), 11 deletions(-) diff --git a/src/data.py b/src/data.py index 671537d..28a9049 100644 --- a/src/data.py +++ b/src/data.py @@ -141,15 +141,15 @@ def get(self, i): # Create dataset dataset = AtomsDataset(data_root_path, prop_csv_path) - dataset.process_data(z_cutoffs=[13., 20.], - node_features=[ - ["atomic_number", "dband_center"], - ["atomic_number", "reactivity"], - ["atomic_number", "reactivity"], - ], - edge_features=[ - ["bulk_bond_distance"], - ["surface_bond_distance"], - ["adsorbate_bond_distance"], - ]) + # dataset.process_data(z_cutoffs=[13., 20.], + # node_features=[ + # ["atomic_number", "dband_center"], + # ["atomic_number", "reactivity"], + # ["atomic_number", "reactivity"], + # ], + # edge_features=[ + # ["bulk_bond_distance"], + # ["surface_bond_distance"], + # ["adsorbate_bond_distance"], + # ]) print(dataset[0][-2].x) \ No newline at end of file