BioChemAI / DeepBlockLinks
This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via Reactive Building Blocks"
☆18Updated 9 months ago
Alternatives and similar repositories for DeepBlock
Users that are interested in DeepBlock are comparing it to the libraries listed below
Sorting:
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆26Updated 3 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆35Updated last month
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery