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awslabs
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dgl-lifesci
Python package for graph neural networks in chemistry and biology
Apache License 2.0
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Inquiry Regarding Modeling Section in examples/property_prediction/csv_data_configuration/README.md
#225
676954172
opened
2 months ago
1
Small bug in classfication_inference for csv_data_configuration
#224
HFooladi
opened
5 months ago
1
Discrepancy between graphs constructed from smiles_to_bigraph and from dgl.graph
#223
skystreet8
closed
7 months ago
2
Install dependencies when install dgl-lifesci
#222
minhtriet
opened
8 months ago
3
Update README.md
#221
mufeili
closed
8 months ago
0
How to obtain the categorical node features for GIN and GNNOGB?
#220
Wang-Lin-boop
opened
11 months ago
3
Example showing how to use an ML model to tune pretrained generative models?
#219
PatWalters
closed
1 year ago
5
ValueError: Found array with 0 sample(s) (shape=(0,)) while a minimum of 1 is required.
#218
seyonechithrananda
closed
1 year ago
2
dataset can not load
#217
yqdzh
closed
1 year ago
3
Fix residual for gcn layer
#216
astolman
closed
1 year ago
3
Result not reproducible for MPNN on FreeSolv dataset
#215
amblee0306
opened
1 year ago
3
How to deal with using F.softmax and F.log_softmax activation functions now that Implicit dimension choice is deprecated
#214
BJWiley233
closed
1 year ago
2
Remove np.long which is no longer supported in latest numpy
#213
xuzijian629
closed
1 year ago
0
Codes based on the GCN Predictor in model zoo are not reproducible
#212
WMX567
opened
1 year ago
1
Update version to 0.3.2 and fix issues due to DGL 1.0
#210
mufeili
closed
1 year ago
0
How to use pre-trained models on custom datasets
#209
GattiMh
opened
1 year ago
5
Issue with dgl v1.0.0
#208
eereenah-fast
closed
1 year ago
2
Missing dependency on dgl
#207
ndickson-nvidia
opened
1 year ago
1
Cache mol featurizer at init time
#206
chajath
closed
1 year ago
2
WeaveAtomFeaturizer performance bottleneck issue with BuildFeatureFactory
#205
chajath
closed
1 year ago
3
Scikit-learn dependency for 0.3.0
#204
ryotatomioka
closed
1 year ago
1
Add allow_zero_in_degree option for gat and gcn models
#203
astolman
closed
1 year ago
11
add gatv2 model
#202
rgasper
closed
1 year ago
6
sider dataset
#201
ph-mehdi
closed
1 year ago
2
Add top-level setup.py
#200
chajath
opened
1 year ago
2
Question: what datasets were pre-trained models pre-trained on?
#199
rhjohnstone
opened
1 year ago
1
Do not downgrade scikit-learn requirement
#198
we-taper
closed
1 year ago
2
unpin scikit-learn version
#197
flying-sheep
closed
1 year ago
9
num_worker training dependency
#196
hnbabaei
opened
1 year ago
8
Implementing ChemProp Model architecture in DGL-LifeSci
#195
leelasd
opened
1 year ago
1
Question about the metric acc
#194
dywlkji
closed
1 year ago
9
How to load model from local directory
#193
maryamag85
opened
1 year ago
6
Updating trial_path to use main value
#192
marcossilva
opened
1 year ago
1
WeaveEdgeFeaturizer bug (number of edges)
#191
nbrosse
closed
1 year ago
3
Rename MoleculeCSVDataset to MoleculeDataFrameDataset
#190
nbrosse
opened
1 year ago
2
[Bug Fix] Update csv_dataset.py to address #184
#189
mufeili
closed
1 year ago
0
Question about pretraining dataset
#188
kexinhuang12345
closed
1 year ago
2
Update version to 0.3.0
#187
mufeili
closed
1 year ago
0
how
#186
maryamag85
closed
1 year ago
1
Question on residual connection code for GCN
#185
kangqiyue
closed
1 year ago
3
mask error for MoleculeCSVDataset
#184
nbrosse
closed
1 year ago
4
cannot import name 'collate_center' from 'utils' (/usr/local/lib/python3.7/dist-packages/utils/__init__.py)
#183
meniapi
opened
2 years ago
8
Insetupreplaced
#182
jacobumland
closed
2 years ago
0
Update doc for the datasets
#181
mufeili
closed
2 years ago
0
[Refactor] Re-implement some functional APIs as modules
#180
mufeili
closed
2 years ago
0
Update Version Requirement of Scikit-Learn
#179
mufeili
closed
2 years ago
0
[JTVAE] Fix Issue 177
#178
mufeili
closed
2 years ago
0
JTVAE
#177
ParnianH98
opened
2 years ago
21
UnlabledSmiles errors on forward pass when passing valid single atom smiles
#176
sudoPete
opened
2 years ago
1
[Doc] Update
#175
mufeili
closed
2 years ago
0
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