ZINC-250k

Dataset Card for "ZINC250k" ZINC250k from Irwin et al., 2005; taken from Jo et al., 2022. Data downloaded from: https://github.com/harryjo97/GDSS. Additional annotations (bond and ring counts) added using rdkit library. Quick start usage: from datasets import load_dataset ds = load_dataset("yairschiff/zinc250k") # Use

Papers using ZINC-250k (1)

Will More Expressive Graph Neural Networks do Better on Generative Tasks?2023