teltim

1) Why "self.atom2valence" is restlicted for several atoms only in the definition? 2) Why the vakence is not atom2valence = {1: 1, 5: 3, 6: 4, 7: 5, 8: 6,...

atom_feature="symbol" is only available for class GCPNGeneration() ?

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``` ... @torch.no_grad() def generate(self, num_sample, max_resample=20, off_policy=False, max_step=30 * 2, initial_smiles="C", verbose=0): is_training = self.training self.eval() graph = data.Molecule.from_smiles(initial_smiles, kekulize=True, atom_feature="symbol").repeat(num_sample) ... ``` Is there any use for limiting...

Sorry, this is not an issue report, but I'd like to ask questions to an expert In molecular generation on the tutorial, there is a split between representation learning and...

I solved by myself.

pygdataclass is required, but it is missing in repo

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In get_dataset.py ``` from dataclasses import * from dgldataclass import DglGraphPropPredDataset, DglPCQM4Mv2Dataset, DglZincDataset from pygdataclass import PygGraphPropPredDataset ``` dgldataclass.py exists, but pygdataclass.py does not. It might be issue??