Benchmarking Single-Pose Docking, Consensus Rescoring, and Supervised ML on the LIT-PCBA Library: A Critical Evaluation of DiffDock, AutoDock-GPU, GNINA, and DiffDock-NMDN

Fuente: arXiv

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Bibliographic Details
Main Authors:	Abo-Dahab, Youssef, Xiang, Xiaoiang, Chun, Joanne, Zhao, Liang
Format:	Preprint
Published:	2026
Subjects:	Machine Learning Biomolecules
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2605.01681