--- license: mit tags: - chemistry - molecular design --- # GuacaMol: Benchmarks for Molecular Design ![guacamol](https://pubs.acs.org/cms/10.1021/acs.jcim.8b00839/asset/images/medium/ci-2018-00839h_0005.gif) For an in-depth explanation of the types of benchmarks and baseline scores, please consult the paper [Benchmarking Models for De Novo Molecular Design](https://arxiv.org/abs/1811.09621) ## Leaderboard See [https://www.benevolent.com/guacamol](https://www.benevolent.com/guacamol).