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