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gcorso / DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
https://arxiv.org/abs/2210.01776
MIT License
976 stars 238 forks source link

errors when to run inference.py with vesion 1.1.2 #231

Closed MachineGUN001 closed 1 month ago

MachineGUN001 commented 1 month ago

I tried to use the sample pdb file and test.csv as input file with the previous 1.0 version. the previous version can work well.