VirtuDockDL is a Python-based platform leveraging deep learning to streamline drug discovery.
Utilizing a Graph Neural Network (GNN), VirtuDockDL achieved 99% accuracy on the HER2 dataset, surpassing tools like DeepChem and AutoDock Vina.
The platform integrates molecular graph construction, virtual screening, and compound clustering, enabling efficient identification of potential drugs and advancing AI-driven pharmaceutical research.
VirtuDockDL combines full automation and a user-friendly design, making it an efficient tool for advancing pharmaceutical research and addressing urgent health challenges.