HannesStark / boltzgen

BoltzGen: Toward Universal Binder Design

MolecularAI / REINVENT4

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

AspirinCode / papers-for-molecular-design-using-DL

List of Molecular and Material design using Generative AI and Deep Learning

chemosim-lab / ProLIF

Interaction Fingerprints for protein-ligand complexes and more

coleygroup / shepherd2

ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design