4 datasets found

The dataset used in the paper is the MUTAG RDF dataset, which contains a set of molecular structures and their corresponding properties.

The MoleculeNet dataset is a collection of molecular property prediction tasks. It contains 17 datasets, each with a different type of molecular graph.

The dataset is used for testing the proposed TopNets architecture on molecular property prediction tasks.

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...