PoseCheck data
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https://zenodo.org/records/10208912
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资源简介：
File contents
`docking_data.pt`
Outputs from docking experiments, including poses and affinities for generated (called 'score_only' after the command used), minimized and redocked molecules.
`interactions/`
Interaction dataframes from the ProLIF calculations
`clashes/`
Steric clashes of generated molecules.
`strain/`
Results from the strain energy calulations, including number of rotatable bonds to filter as done in the paper.
创建时间：
2023-11-27
