awslabs/dgl-lifesci
Python package for graph neural networks in chemistry and biology
PythonApache-2.0
Pinned issues
Issues
- 1
Inquiry Regarding Modeling Section in examples/property_prediction/csv_data_configuration/README.md
#225 opened by 676954172 - 1
- 2
Discrepancy between graphs constructed from smiles_to_bigraph and from dgl.graph
#223 opened by skystreet8 - 3
- 2
ValueError: Found array with 0 sample(s) (shape=(0,)) while a minimum of 1 is required.
#218 opened by seyonechithrananda - 5
Example showing how to use an ML model to tune pretrained generative models?
#219 opened by PatWalters - 3
dataset can not load
#217 opened by yqdzh - 3
- 2
How to deal with using F.softmax and F.log_softmax activation functions now that Implicit dimension choice is deprecated
#214 opened by BJWiley233 - 9
Question about the metric acc
#194 opened by dywlkji - 1
- 2
Issue with dgl v1.0.0
#208 opened by eereenah-fast - 5
How to use pre-trained models on custom datasets
#209 opened by GattiMh - 2
sider dataset
#201 opened by ph-mehdi - 3
- 1
Missing dependency on dgl
#207 opened by ndickson-nvidia - 1
Scikit-learn dependency for 0.3.0
#204 opened by ryotatomioka - 2
Do not downgrade scikit-learn requirement
#198 opened by we-taper - 1
- 8
cannot import name 'collate_center' from 'utils' (/usr/local/lib/python3.7/dist-packages/utils/__init__.py)
#183 opened by meniapi - 8
num_worker training dependency
#196 opened by hnbabaei - 6
How to load model from local directory
#193 opened by maryamag85 - 1
- 3
WeaveEdgeFeaturizer bug (number of edges)
#191 opened by nbrosse - 2
Rename MoleculeCSVDataset to MoleculeDataFrameDataset
#190 opened by nbrosse - 2
Question about pretraining dataset
#188 opened by kexinhuang12345 - 4
mask error for MoleculeCSVDataset
#184 opened by nbrosse - 1
how
#186 opened by maryamag85 - 3
Question on residual connection code for GCN
#185 opened by kangqiyue - 4
Question on the pre-trained model name and code
#166 opened by kangqiyue - 21
JTVAE
#177 opened by ParnianH98 - 10
load_pretrained
#155 opened by ph-mehdi - 1
- 4
Problem while using the demo examples/property_prediction/csv_data_configuration/
#173 opened by dywlkji - 3
- 4
PotentialNet edge dimension error
#158 opened by and-tos - 1
- 2
Error when using mol_to_bigraph with node featurizer
#165 opened by lvkd84 - 4
- 2
how to use pre-trained model correctly?
#163 opened by karin0018 - 4
Pretrained models' in_feat dimension error
#162 opened by jypeng28 - 2
Target size (torch.Size([128, 12])) must be the same as input size (torch.Size([1, 12]))
#161 opened by rajarshiche - 2
- 2
error g.ndata.pop ('h')
#156 opened by ph-mehdi - 8
No module named 'dgl.nn.functional'
#152 opened by iso-p - 1
MGCN Edge embedding
#151 opened by NicoRenaud - 6
GPU slower than CPU
#150 opened by xnuohz - 1
Utils that do not use RDKit
#148 opened by jadolfbr - 2
- 1
Masks in Meter.update()
#143 opened by and-tos