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1. REINVENT4 REINVENT4 Public

   Forked from MolecularAI/REINVENT4

   AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

   Python

2. visinf/n3net visinf/n3net Public

   Neural Nearest Neighbors Networks (NIPS*2018)

   Python 287 45

3. MolecularAI/REINVENT4 MolecularAI/REINVENT4 Public

   AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

   Python 593 173