I lok at this tutorial:
Then I change
!pip install --pre deepchem[tensorflow]
to
!pip install --pre deepchem
Then I change
model = dc.models.GraphConvModel(n_tasks=1, mode=‘regression’, dropout=0.2,batch_normalize=False)
to
num_features = train_dataset.X[0].get_atom_features().shape[1]
model = dc.models.torch_models.GraphConvModel(n_tasks=len(tasks), mode=‘regression’, dropout=0.2, number_input_features=[num_features,64], batch_normalize=False)
Then I run model.fit and get a very bad result.
Where am I wrong?