GuacaMol / README.md
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license: mit
tags:
  - chemistry
  - molecular design

GuacaMol: Benchmarks for Molecular Design

guacamol

For an in-depth explanation of the types of benchmarks and baseline scores, please consult the paper Benchmarking Models for De Novo Molecular Design

Leaderboard

See https://www.benevolent.com/guacamol.