awslabs/dgl-lifesci

Issues

• Inquiry Regarding Modeling Section in examples/property_prediction/csv_data_configuration/README.md

  #225 opened 2 months ago by 676954172
  1

• Small bug in classfication_inference for csv_data_configuration

  #224 opened 5 months ago by HFooladi
  1

• Discrepancy between graphs constructed from smiles_to_bigraph and from dgl.graph

  #223 opened 7 months ago by skystreet8
  2

• How to obtain the categorical node features for GIN and GNNOGB?

  #220 opened a year ago by Wang-Lin-boop
  3

• ValueError: Found array with 0 sample(s) (shape=(0,)) while a minimum of 1 is required.

  #218 opened a year ago by seyonechithrananda
  2

• Example showing how to use an ML model to tune pretrained generative models?

  #219 opened a year ago by PatWalters
  5

• dataset can not load

  #217 opened a year ago by yqdzh
  3

• Result not reproducible for MPNN on FreeSolv dataset

  #215 opened a year ago by amblee0306
  3

• How to deal with using F.softmax and F.log_softmax activation functions now that Implicit dimension choice is deprecated

  #214 opened a year ago by BJWiley233
  2

• Question about the metric acc

  #194 opened 2 years ago by dywlkji
  9

• Codes based on the GCN Predictor in model zoo are not reproducible

  #212 opened a year ago by WMX567
  1

• Issue with dgl v1.0.0

  #208 opened a year ago by eereenah-fast
  2

• How to use pre-trained models on custom datasets

  #209 opened a year ago by GattiMh
  5

• sider dataset

  #201 opened a year ago by ph-mehdi
  2

• WeaveAtomFeaturizer performance bottleneck issue with BuildFeatureFactory

  #205 opened a year ago by chajath
  3

• Missing dependency on dgl

  #207 opened a year ago by ndickson-nvidia
  1

• Scikit-learn dependency for 0.3.0

  #204 opened a year ago by ryotatomioka
  1

• Do not downgrade scikit-learn requirement

  #198 opened 2 years ago by we-taper
  2

• Question: what datasets were pre-trained models pre-trained on?

  #199 opened 2 years ago by rhjohnstone
  1

• cannot import name 'collate_center' from 'utils' (/usr/local/lib/python3.7/dist-packages/utils/__init__.py)

  #183 opened 2 years ago by meniapi
  8

• num_worker training dependency

  #196 opened 2 years ago by hnbabaei
  8

• How to load model from local directory

  #193 opened 2 years ago by maryamag85
  6

• Implementing ChemProp Model architecture in DGL-LifeSci

  #195 opened 2 years ago by leelasd
  1

• WeaveEdgeFeaturizer bug (number of edges)

  #191 opened 2 years ago by nbrosse
  3

• Rename MoleculeCSVDataset to MoleculeDataFrameDataset

  #190 opened 2 years ago by nbrosse
  2

• Question about pretraining dataset

  #188 opened 2 years ago by kexinhuang12345
  2

• mask error for MoleculeCSVDataset

  #184 opened 2 years ago by nbrosse
  4

• how

  #186 opened 2 years ago by maryamag85
  1

• Question on residual connection code for GCN

  #185 opened 2 years ago by kangqiyue
  3

• Question on the pre-trained model name and code

  #166 opened 2 years ago by kangqiyue
  4

• JTVAE

  #177 opened 2 years ago by ParnianH98
  21

• load_pretrained

  #155 opened 2 years ago by ph-mehdi
  10

• UnlabledSmiles errors on forward pass when passing valid single atom smiles

  #176 opened 2 years ago by sudoPete
  1

• Problem while using the demo examples/property_prediction/csv_data_configuration/

  #173 opened 2 years ago by dywlkji
  4

• Problem loading train_set of rexgen_direct example for local training

  #171 opened 2 years ago by marcossilva
  3

• PotentialNet edge dimension error

  #158 opened 3 years ago by and-tos
  4

• The default PretrainAtomFeaturizer does not work for the ClinTox dataset.

  #169 opened 2 years ago by shuix007
  1

• Error when using mol_to_bigraph with node featurizer

  #165 opened 2 years ago by lvkd84
  2

• JTVAE's `pretrain` script results raises due to mismatched dtypes

  #164 opened 2 years ago by siboehm
  4

• how to use pre-trained model correctly?

  #163 opened 3 years ago by karin0018
  2

• Pretrained models' in_feat dimension error

  #162 opened 3 years ago by jypeng28
  4

• Target size (torch.Size([128, 12])) must be the same as input size (torch.Size([1, 12]))

  #161 opened 3 years ago by rajarshiche
  2

• Which featurizers should work with smiles_to_bigraph?

  #157 opened 3 years ago by dmmiller612
  2

• error g.ndata.pop ('h')

  #156 opened 3 years ago by ph-mehdi
  2

• No module named 'dgl.nn.functional'

  #152 opened 3 years ago by iso-p
  8

• MGCN Edge embedding

  #151 opened 3 years ago by NicoRenaud
  1

• GPU slower than CPU

  #150 opened 3 years ago by xnuohz
  6

• Utils that do not use RDKit

  #148 opened 3 years ago by jadolfbr
  1

• Scaffold splitter functionality unexpected behavior?

  #144 opened 3 years ago by phil-fradkin
  2

• Masks in Meter.update()

  #143 opened 3 years ago by and-tos
  1