/tools/REINVENT4
REINVENT4
MolecularAI/REINVENT4
676 stars197 forksPythonAdded February 4, 2026
summary
REINVENT4 is an AI molecular design tool that focuses on generating and optimizing small molecules through techniques like reinforcement learning. It supports various design tasks such as scaffold hopping and R-group replacement, making it a valuable resource for drug discovery.
description
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
topics
aicheminformaticschemistrydenovo-designgenerative-aimlmolecule-generationastrazenecadeep-learningneural-networksreinforcement-learningtransfer-learningdrug-designdrug-discovery
Ratings
N/A
0 ratings
Rate this tool: