ZINC

Dataset Card for ZINC Dataset Summary The ZINC dataset is a "curated collection of commercially available chemical compounds prepared especially for virtual screening" (Wikipedia). Supported Tasks and Leaderboards ZINC should be used for molecular property prediction (aiming to predict the constrained solubility of the

Papers using ZINC (5)

Greener GRASS: Enhancing GNNs with Encoding, Rewiring, and Attention2024Building powerful and equivariant graph neural networks with structural message-passing2020 · 21 citesDirectional Graph Networks2020 · 10 citesGraph Anisotropic Diffusion2022 · 1 citesMassive Activations in Graph Neural Networks: Decoding Attention for Domain-Dependent Interpretability2024