Replaces proprietary drug discovery software with a graph-based machine learning framework. Includes modules for molecular property prediction, generation, and protein-ligand interaction.
Tech Stack
PythonBiology & Biotechnology
Why torchdrug?
• Modular design
• Graph-native
• Comprehensive modules
Limitations
• Steep learning curve
• Academic focus
• Heavy dependencies
2/26/2026
Last Update
218
Forks
124
Issues
Apache-2.0
License
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