Jianmin Wang's starred repositories
DiffDock-Pocket
Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
receptor-hopping
Simulation input files for the paper "Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy Calculations"
awesome-ChemicalSpectraAI
AI for Chemical Spectra
bio-deep-learning
Deep learning models applied to drug discovery and bioinformatics
ChemProjector
:dart: Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
PD-1_Fab_Diffusion
PD-1 Targeted Antibody Discovery Using AI Protein Diffusion