IDEA-AI4S/MolInst_RS_125K_Scaffold_SMILES-MMChat download history

IDEA-AI4S/MolInst_RS_125K_Scaffold_SMILES-MMChat is a dataset on the Hugging Face Hub. In the last 30 days it was downloaded 81 times (10 in the last 7 days), and 787 times in total. It ranks #132,316 among datasets by monthly downloads.

Retrosynthesis Prediction Dataset (derived from MolInstruct) molecule representation format: 1D SMILES will further encode into 2D graph features We use scaffold splitting to reconstruct the train-split. We use SMolInstruct RS train split as the sample pool. We only include single-step retrosynth

Open IDEA-AI4S/MolInst_RS_125K_Scaffold_SMILES-MMChat on Hugging Face

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