rdkit-rs / rdkit

RDKit Made Idiomatic for Rust
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Need binding for scaffold network nodes method #21

Open JJ-Pineda opened 7 months ago

JJ-Pineda commented 7 months ago

We need to be able to access the nodes method for a ScaffoldNetwork. The nodes method gives us the actual scaffolds generated for a compound (or set of compounds depending on the input).

Ultimately, this ability will allow us to assign scaffolds to all index compounds for quicker substructure searching.