Questions about the SMILES of hit1, hit2, hit3 mentioned in the paper

huankoh / PSICHIC

PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data

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Questions about the SMILES of hit1, hit2, hit3 mentioned in the paper #10

Open Listen-lei opened 3 weeks ago

Listen-lei commented 3 weeks ago

Regarding the SMILES of hit1 hit2 hit3 mentioned in the paper, can you give me a guide on how to get them, I didn't find the relevant content in the paper, so I can't reproduce the content of the position, this is very confusing, can you give me some help?