这是一个基 于AutoDock-GPU的自动化批量对接程序，只需输入小分子的smiles结构文档（支持批量输入）并且提供蛋白质的网格文件（maps.fld）即可自动完成小分子预处理，分子对接，结果提取等步骤。This project is an automated batch docking pipeline built on AutoDock-GPU, designed to streamline virtual screening workflows.
☆26Oct 13, 2025Updated 9 months ago
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