BioinformaticsSciencePeer-reviewed
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Deep contrastive learning enables genome-wide virtual screening
Yinjun Jia, Bowen Gao, Jiaxin Tan…·Yanyan Lan
DrugCLIP, a contrastive dense-retrieval model for pockets and molecules, beats docking on DUD-E and LIT-PCBA and screened about 10,000 human AlphaFold2 proteins in 24 hours.
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