Datasets Activity Stream About Order by Relevance Name Ascending Name Descending Last Modified Go 2 datasets found Groups: Graph Neural Networks Formats: JSON Filter Results PCQM4M PCQM4M is a quantum chemistry dataset originally curated under the PubChemQC project. 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
