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wengong-jin / hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

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What is the technical differences between the models in ./generation/poly_hgraph and /hgraph?

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commented

What is the technical differences between the models in ./generation/poly_hgraph and /hgraph?

commented

Hi,

The generation folder is for polymer generation. It does not have attention layers between the encoder and decoder. The root /hgraph/ is for graph-to-graph translation (for lead optimization). The model contains attention layers between the encoder and decoder.