Jainamshahhh/molperceive

MolPerceive: 90,000 structural questions about molecules, every label computed A 90,000-row training corpus for reading a molecule from its SMILES string: heavy atom counts, bond counts, ring systems, shortest paths through the molecular graph, per-atom implicit hydrogen counts, molecular formula in Hill notation, and whether the structure is chemically valid at all. What this dataset proves, and how you check it A dataset is only worth what it can demonstrate.… See the full description on the dataset page: https://huggingface.co/datasets/Jainamshahhh/molperceive.

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