/tools/Molecule-RNN

Molecule-RNN

shiwentao00/Molecule-RNN

11 stars6 forksPythonAdded February 4, 2026
summary

Molecule-RNN is a recurrent neural network designed to generate drug-like molecules for drug discovery. It learns from a dataset and samples new molecules that resemble the training data, utilizing various tokenization methods for SMILES representation.

description

A recurrent neural network (RNN) that generates drug-like molecules for drug discovery.

topics

moleculedrug-discoveryrnnsmilescheminformaticsgenerative-modelrecurrent-neural-networkdeep-learningde-novo-drug-design

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