AI RESEARCH
SAIR: Accelerating Pharma R&D with AI-Powered Structural Intelligence
Hugging Face Blog
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Accessing SAIR 1. Install essentials 2. Authenticate 3. Load the main table (sair.parquet) 4. (Optional) List available structure archives 5. (Optional) Download and extract structures Questions? This summer, SandboxAQ released the Structurally Augmented IC50 Repository (SAIR), the largest dataset of co-folded 3D protein-ligand structures paired with experimentally measured IC₅₀ labels, directly linking molecular structure to drug potency and overcoming a longstanding scarcity in