BIMSBbioinfo/PocketVina

GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementation of PocketVina

语言：C++ · GitHub 星标：74 · Fork：12

话题：autodock-gpu · autodock-vina · drug-discovery · molecular-biology · molecular-docking · p2rank · protein-ligand-binding-affinity · protein-ligand-docking

在 GitHub 上查看原仓库