some problem in ggraph3D_dataset.py

divelab / DIG

A library for graph deep learning research

https://diveintographs.readthedocs.io/

GNU General Public License v3.0

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Closed fate1997 closed 2 years ago

fate1997 commented 2 years ago

line 89 self.mols has not been defined
line 103 will report error for the molecules without carbon
it is inconvenient to split dataset and create loader like the dig.threedgraph can have "get_idx_split" methods

lyzustc commented 2 years ago

@fate1997 Thank you very much for pointing out these problems! We have updated the codes of ggraph3D and fixed these problems.