/tools/QADD

QADD

yifang000/QADD

14 stars4 forksPythonAdded February 8, 2026
summary

QADD is a software tool designed for de novo drug design that utilizes iterative multi-objective deep reinforcement learning. It incorporates a graph-based molecular quality assessment model to generate high-quality drug-like molecules while considering their potential drug properties.

description

De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment

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