GraphVF: Controllable Protein-Specific 3D Molecule Generation with Variational Flow

1 code implementation • 23 Feb 2023 • Fang Sun, Zhihao Zhan, Hongyu Guo, Ming Zhang, Jian Tang

In particular, GraphVF represents the first controllable geometry-aware, protein-specific molecule generation method, which can generate binding 3D molecules with tailored sub-structures and physio-chemical properties.

3D Molecule Generation Drug Discovery