himasai9712/smiles2odor-pom-gnn
https://huggingface.co/himasai9712/smiles2odor-pom-gnnPredict olfactory descriptors from SMILES strings. A GINE-based graph neural network trained on the Leffingwell PMP dataset, reproducing the Principal Odor Map (POM) approach.
Sourced from
- HuggingFace — himasai9712/smiles2odor-pom-gnn
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