computational-chemistryresearch
drug-screening-docking
Comprehensive drug screening pipeline from molecular filtering through QED/ADMET criteria to protein-ligand docking, identifying promising drug candidates.
maintainer
InternScience
更新于 2/27/2026
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129
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7
quick start
Installation and usage
Comprehensive drug screening pipeline from molecular filtering through QED/ADMET criteria to protein-ligand docking, identifying promising drug candidates.
安装
$ install --globalskills.sh
使用
安装后，您可以通过在终端运行以下命令来使用此技能：
skills use drug-screening-docking