/tools/LSTM_Chem

LSTM_Chem

topazape/LSTM_Chem

118 stars57 forksJupyter NotebookAdded February 4, 2026
summary

LSTM_Chem is a tool that implements generative recurrent networks for de novo drug design, allowing users to generate new molecular structures based on learned patterns from existing data. It utilizes SMILES representations for molecules and is built using TensorFlow and Keras.

description

Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.

topics

chemoinformaticscheminformaticskeraspython3machine-learninglstmrnndenovotensorflow2

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