DrugCLIP Scores 10 Trillion Protein-Ligand Pairs in a Day, Opening the Undrugged Proteome

A contrastive learning approach combined with AlphaFold structures enables virtual drug screening at a scale that was computationally impossible just two years ago.

DrugCLIP, a new virtual screening tool, can score 10 trillion protein-ligand pairs in a single day, as @bravo_abad reported. The system uses contrastive learning — the same approach that powers CLIP in the vision-language domain — to match drug candidates against protein structures predicted by AlphaFold across the entire human proteome.

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