/guacamol_baselines

Baselines models for GuacaMol benchmarks

Primary LanguagePythonMIT LicenseMIT

GuacaMol Baselines

An installable fork of guacamol_baselines, a series of baseline model implementations for the guacamol benchmark for generative chemistry (distributed MIT license).

An in depth explanation of the benchmarks and scores for these baselines can be found here.

Installation

pip install git+https://github.com/PaccMann/guacamol_baselines.git