ligand-binding

There are 3 repositories under ligand-binding topic.

protocaller/ProtoCaller
Full automation of relative protein-ligand binding free energy calculations in GROMACS
Language:Python44 4 3515
HySonLab/Protein_Redesign
Complex-based Ligand-Binding Proteins Redesign by Equivariant Diffusion-based Generative Models
Language:Python33 4 33
college-of-pharmacy-gachon-university/SMPLIP-Score
Prediction of Absolute Ligand-Protein Binding Affinity
Language:Jupyter Notebook5 0 03