Replaces proprietary docking software like Schrodinger Glide for protein-ligand binding prediction. It utilizes convolutional neural networks to score and optimize ligand poses within protein binding sites.
Tech Stack
C++Chemistry & Materials
Why gnina?
• GPU-accelerated scoring
• Support for custom CNN architectures
• Built-in pose optimization
Limitations
• Requires CUDA for performance
• Steep learning curve for CLI
• Limited GUI options
7/10/2026
Last Update
203
Forks
23
Issues
Apache-2.0
License
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