/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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