wengong-jin / hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs
MIT License
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Purpose of "assm_cands" #53

Open rogerthat-0420 opened 1 month ago

rogerthat-0420 commented 1 month ago

Could someone please explain the purpose of this part of the code in mol_graph.py? What is the uncertainty here and what is the issue that is being solved?

Screenshot 2024-10-20 at 3 22 17 PM