Skip to content

corrected the links to qm9 dataset #11211

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
mylonasc wants to merge 1 commit into
base: master
Choose a base branch
from
+8 −6
Open

corrected the links to qm9 dataset #11211

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
6 changes: 3 additions & 3 deletions tensorflow_datasets/datasets/qm9/checksums.tsv
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
https://figshare.com/ndownloader/files/3195395 964 af739d4a0fbe894a56f346ad6045ee1b74c58f8a8c9ef3fbfed920c9ad8b00f9 atomref.txt
https://springernature.figshare.com/ndownloader/files/3195389 86144227 3a63848ac80691bdb8d41834b575afad345b9300d7a2db0c38adb7f6eaa8360c dsgdb9nsd.xyz.tar.bz2
https://springernature.figshare.com/ndownloader/files/3195404 486752 3aa5115d540b356de94791d4a74c3bf1ed91c469ecf52a4f5d7cc0506fe02e24 uncharacterized.txt
https://ndownloader.figshare.com/files/3195395 964 af739d4a0fbe894a56f346ad6045ee1b74c58f8a8c9ef3fbfed920c9ad8b00f9 atomref.txt
https://ndownloader.figshare.com/files/3195389 86144227 3a63848ac80691bdb8d41834b575afad345b9300d7a2db0c38adb7f6eaa8360c dsgdb9nsd.xyz.tar.bz2
https://ndownloader.figshare.com/files/3195404 486752 3aa5115d540b356de94791d4a74c3bf1ed91c469ecf52a4f5d7cc0506fe02e24 uncharacterized.txt
8 changes: 5 additions & 3 deletions tensorflow_datasets/datasets/qm9/qm9_dataset_builder.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -36,11 +36,11 @@

_HOMEPAGE = 'https://doi.org/10.6084/m9.figshare.c.978904.v5'

_ATOMREF_URL = 'https://figshare.com/ndownloader/files/3195395'
_ATOMREF_URL = 'https://ndownloader.figshare.com/files/3195395'
_UNCHARACTERIZED_URL = (
'https://springernature.figshare.com/ndownloader/files/3195404'
'https://ndownloader.figshare.com/files/3195404'
)
_MOLECULES_URL = 'https://springernature.figshare.com/ndownloader/files/3195389'
_MOLECULES_URL = 'https://ndownloader.figshare.com/files/3195389'

_SIZE = 133_885
_CHARACTERIZED_SIZE = 130_831
Expand Down Expand Up @@ -287,6 +287,7 @@ def _split_generators(
skipfooter=1,
sep=r'\s+',
names=['Z', 'zpve', 'U0', 'U', 'H', 'G', 'Cv'],
engine='python'
).to_dict()

uncharacterized = pd.read_table(
Expand All @@ -298,6 +299,7 @@ def _split_generators(
sep=r'\s+',
usecols=[0],
names=['index'],
engine='python'
).values[:, 0]

molecules_dir = dl_manager.download_and_extract(
Expand Down