From 707d26d4d13b9a34ad2aa65db183302eb43749d8 Mon Sep 17 00:00:00 2001 From: Jintang Li Date: Tue, 20 Sep 2022 03:43:08 +0800 Subject: [PATCH] fix broken url in MD17 dataset (#5474) --- torch_geometric/datasets/md17.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/torch_geometric/datasets/md17.py b/torch_geometric/datasets/md17.py index f8cbf1e71a5b..bad8a38cc5af 100644 --- a/torch_geometric/datasets/md17.py +++ b/torch_geometric/datasets/md17.py @@ -101,8 +101,8 @@ class MD17(InMemoryDataset): url = 'http://quantum-machine.org/gdml/data/npz' file_names = { - 'benzene FHI-aims': 'benzene_dft.npz', - 'benzene': 'benzene_old_dft.npz', + 'benzene FHI-aims': 'benzene2018_dft.npz', + 'benzene': 'benzene2017_dft.npz', 'benzene CCSD(T)': 'benzene_ccsd_t.zip', 'uracil': 'uracil_dft.npz', 'napthalene': 'naphthalene_dft.npz',