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Help needed using a molecular dataset

See original GitHub issue

Hello together,

I have created a molecular dataset using:


Now, when I want to create an Engine from a defined task:

task = tasks.PropertyPrediction(model, task=dataset_train.tasks,
criterion="bce", metric=("auprc", "auroc"),num_class=3)
optimizer = torch.optim.Adam(task.parameters(), lr=1e-3)
solver = core.Engine(task, train_set, valid_set, test_set, optimizer, batch_size=1024)

I receive the following error:

'MoleculeDataset' object has no attribute 'config_dict'

How can I set the config dict using a user defined dataset?

Issue Analytics

  • State:open
  • Created a year ago
  • Comments:6 (1 by maintainers)

github_iconTop GitHub Comments

bananenpampecommented, Oct 31, 2022


for me this fix worked, I assume ther is something wrong eith this wrapper:

from torchdrug.core import Registry as R

class mymoldataset(data.MoleculeDataset):
    def __init__(self,*args,**kwargs):

bananenpampecommented, Oct 31, 2022


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