⚠ Archived — the upstream repository is no longer receiving updates.
GraphINVENT
github.com/molecularai/graphinventA platform for graph-based molecular generation using graph neural networks.
Sourced from
- Awesome Python Chemistry — github.com/molecularai/graphinvent
- GitHub — github.com/molecularai/graphinvent
Related resources
A benchmarking platform for molecular generation models.
A package for benchmarking of models for _de novo_ molecular design.
Experiments with expanded ensembles to explore chemical space.