structure-epflai/qm9

QM9 for the structure project This dataset was cloned from https://huggingface.co/datasets/yairschiff/qm9 . It contains additional properties computed via rdkit on top of the base QM9. Info QM9 dataset from Ruddigkeit et al., 2012; Ramakrishnan et al., 2014. Original data downloaded from: http://quantum-machine.org/datasets. Additional annotations (QED, logP, SA score, NP score, bond and ring counts) added using rdkit library. Quick start usage:… See the full description on the dataset page: https://huggingface.co/datasets/structure-epflai/qm9.