isayevlab / Auto3D_pkg

Auto3D generates low-energy conformers from SMILES/SDF
MIT License
146 stars 32 forks source link

Bug/padding complexity #60

Closed FilippNikitin closed 9 months ago

FilippNikitin commented 9 months ago

This kind of code creates N^2 complexity instead of linear.

pad_length = [max(lengths) - len(lst) for lst in lists]