maykcaldas/smiles-transformers

smiles-transformers dataset TODO: Add references to the datasets we curated dataset features name: text Molecule SMILES : string name: formula Molecular formula : string name: NumHDonors Number of hidrogen bond donors : int name: NumHAcceptors Number of hidrogen bond acceptors : int name: MolLogP Wildman-Crippen LogP : float name: NumHeteroatoms Number of hetero atoms: int name: RingCount Number of rings : int name: NumRotatableBonds Number of… See the full description on the dataset page: https://huggingface.co/datasets/maykcaldas/smiles-transformers.