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isayevlab / Auto3D_pkg

Auto3D generates low-energy conformers from SMILES/SDF
MIT License
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run comand not work "python .\auto3d.py --path="data/smiles.sdf" --use_gpu=False" #32

Closed lonngxiang closed 1 year ago

lonngxiang commented 1 year ago

image

LiuCMU commented 1 year ago

Looks like it's due to the path difference between different systems. For windows, the path should be --path="data\smiles.sdf"