AlphaSpace2

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Hi all, I'm currently graduate student in Yingkai Zhang's lab. I'm creating a pull request to add a little code mostly written by @cyangNYU that uses his developed [Lin_F9 scoring...

echen1214

Hi, Haotian, I got an error when using the lasted version to calculate vina-score: AttributeError: 'list' object has no attribute 'keys' this error is the function _pre_process_pdbqt(), line 182 of...

laviaf

Input file formatting (PDB/PDBQT)

2

Hello, I am currently having issues conducting experimentation using the scripts you provide in the tutorial. Specifically, the tutorial 4 "fragment to lead" is not working. I didn't change the...

mscockatiel