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Implementing ChemProp Model architecture in DGL-LifeSci #195

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leelasd opened this issue Aug 24, 2022 · 1 comment
Open

Implementing ChemProp Model architecture in DGL-LifeSci #195

leelasd opened this issue Aug 24, 2022 · 1 comment

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@leelasd
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leelasd commented Aug 24, 2022

Hi @mufeili,

I was wondering if there are any plans to implement ChemProp model in DGL-LifeSci. It is a Directional-MPNN, and since DGL-LifeSci already has MPNN networks how complicated do you think it would be for a novice like me to implement this in DGL?

Leela
@mufeili
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mufeili commented Aug 25, 2022

Hi @leelasd ,

I checked D-MPNN long before and no longer remember it clearly. I can check that when I have time. Alternatively, could you summarize the differences between MPNN and D-MPNN?

@mefortunato mefortunato mentioned this issue Oct 2, 2023
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@leelasd @mufeili