/tools/molecule_generator
molecule_generator
kevinid/molecule_generator
138 stars42 forksJupyter NotebookAdded February 8, 2026
summary
This repository provides a conditional graph-based molecule generator designed for multi-objective de novo drug design. It allows users to generate molecules with controlled properties using a generative model, making it a valuable tool for drug discovery.
description
Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
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