BioinformaticsNature Computational SciencePeer-reviewed
ECloudGen: Leveraging Electron Clouds as a Latent Variable to Scale Up Structure-based Molecular Design
Odin Zhang, Jieyu Jin, Zhenxing Wu…·Tingjun Hou
ECloudGen improves molecular design by using electron clouds as latent variables, generating more potent binders and exploring broader chemical space than existing methods.