fragment-based-drug-discovery

Here are 3 public repositories matching this topic...

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.

Add a description, image, and links to the fragment-based-drug-discovery topic page so that developers can more easily learn about it.

To associate your repository with the fragment-based-drug-discovery topic, visit your repo's landing page and select "manage topics."