Serious-Huang

Pinned Repositories

• BiCEV

  Language:Python5210

• deepfrag

  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such that the resulting extension is also highly complementary to the receptor. The DeepFrag web application is also a useful tool for teaching students about medicinal chemistry and lead optimization.

  Language:Python17144

• OrbAlign

  Orbital Alignment

  Language:Python20

Serious-Huang's Repositories