Real-World Assessment of Machine Learned Docking Using Bioassay-Derived Benchmarks
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LIT-PCBA receptors as prepared for use with DiffDock-Pocket from "Real-World Assessment of Machine Learned Docking Using Bioassay-Derived Benchmarks." Script to score DiffDock-Pocket generated poses with the Pafnucy scoring function. DUD-E receptors and ligands as prepared for use with CDOCKER from "Real-World Assessment of Machine Learned Docking Using Bioassay-Derived Benchmarks."
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Zenodo创建时间：
2025-12-08
