/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)

Ratings

N/A
0 ratings

Rate this tool:

Comments (0)

Sign in to leave a comment.

No comments yet. Be the first to share your thoughts!