search

mattragoza / LiGAN

Deep generative models of 3D grids for structure-based drug discovery
GNU General Public License v2.0
225 stars 44 forks source link

valence error #34

Open shixiaojia opened 2 years ago

shixiaojia commented 2 years ago

Hi, In the Bond inference algorithm, you remove bad valence. However, I generated some molecules with bad valence using you trained model. Have you ever had such a problem?

Looking forward to your help! Thank you very much!