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AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Python873 stars235 forksApache-2.0
aiastrazenecacheminformaticschemistrydeep-learningdenovo-designdrug-designdrug-discoverygenerative-aimlmolecule-generationneural-networksreinforcement-learningtransfer-learning
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