Small Molecule Properties (SMP) dataset from the ATOM3D project. This upload includes three zipped data directories: Full, unsplit dataset in LMDB format Split datasets, with each in LMDB format Text files containing train, validation, and test indices used to split raw dataset README containing dataset details

{"references": ["Townshend, R. J. L. et al. ATOM3D: Tasks On Molecules in Three Dimensions. In review (2020). http://arxiv.org/abs/2012.04035.", "Ramakrishnan, R., Dral, P. O., Rupp, M. & Von Lilienfeld, O. A. Quantum chemistry structures and properties of 134 kilo molecules. Scientific Data 1, (2014)"]}