README.md

---
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).