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Masking implementation confusion #18

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yuewan2 opened this issue Jun 26, 2023 · 0 comments
Open

Masking implementation confusion #18

yuewan2 opened this issue Jun 26, 2023 · 0 comments

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@yuewan2
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yuewan2 commented Jun 26, 2023

In the paper, it mentions that you apply random masking on atom and bonds. It also says that "GROVER randomly masks a local subgraph". However, in the GroverCollator class, the 'atom_random_mask' and 'bond_random_mask' are only designed for selecting atom/bond context without applying any masking on the input molecule representation. I am wondering if there is anything I missed from the code since I do not see any molecule masking implementation elsewhere.

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