SQuIRL is a dataset of 133883 small molecules from the QM9 dataset (doi: 10.1038/sdata.2014.22), with the following properties:SMILES stringsMolecular geometries (Cartesian) (Å)Functional groupsPrinci
SQuIRL is a dataset of 133883 small molecules from the QM9 dataset (doi: 10.1038/sdata.2014.22), with the following properties: SMILES stringsMolecular geometries (Cartesian) (Å)Functional groupsPri
