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fix broken url in MD17 dataset (#5474)
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EdisonLeeeee authored Sep 19, 2022
1 parent 80c6c78 commit 707d26d
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions torch_geometric/datasets/md17.py
Original file line number Diff line number Diff line change
Expand Up @@ -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',
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