MoleculeNet

MoleculeNet Benchmark (website) MoleculeNet is a benchmark specially designed for testing machine learning methods of molecular properties. As we aim to facilitate the development of molecular machine learning method, this work curates a number of dataset collections, creates a suite of software that implements many kn

Papers using MoleculeNet (2)

Learning Graph-Level Representation for Drug Discovery2017 · 79 citesGraph Networks with Spectral Message Passing2021 · 5 cites