Chemprop
github.com/chemprop/chempropDirected message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.
Sourced from
- Awesome Python Chemistry — github.com/chemprop/chemprop
- Awesome AI for Science — github.com/chemprop/chemprop
- Awesome Cheminformatics — github.com/chemprop/chemprop
- GitHub — github.com/chemprop/chemprop
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