GNINA
github.com/gnina/gninaDeep learning framework for molecular docking extending AutoDock Vina with convolutional neural network scoring functions, achieving superior virtual screening enrichment and pose prediction across diverse target classes; widely adopted in pharmaceutical structure-based drug design (J. Cheminformatics, 915+ stars, actively maintained)
Sourced from
- Awesome AI for Science — github.com/gnina/gnina
- GitHub — github.com/gnina/gnina
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