Datasets Activity Stream About Order by Relevance Name Ascending Name Descending Last Modified Go 2 datasets found Tags: Molecules Filter Results QM7 The Quantum Chemistry dataset contains 7165 molecules. Each molecule is represented by the Coulomb (energy) matrix and its atomization energy. Dataset JSON QM9 A dataset of small molecules for benchmarking molecule generation methods. The dataset consists of fingerprints of the molecules, and the goal is to predict the original... Dataset JSON
