GuacaMol
Generative Molecular Design
A package for benchmarking of models for _de novo_ molecular design.
- Repository
- github.com/benevolentai/guacamol
Source attribution
- Awesome Python Chemistry — github.com/benevolentai/guacamol
Related resources
Experiments with expanded ensembles to explore chemical space.
A platform for graph-based molecular generation using graph neural networks.
A benchmarking platform for molecular generation models.