A systematic computational workflow integrates Protein–Ligand Affinity prediction NETwork (PLANET), a GPU‐accelerated version of AutoDock Vina (Vina‐GPU), molecular mechanics/generalized born surface area (MM/GBSA), absorption distribution metabolism excretion toxicity prediction (admetSAR 3.0), molecular dynamics (MD), and absolute binding free energy (ABFE) calculations to identify potential G protein‐coupled receptor family C group 5 member D (GPRC5D) inhibitors for multiple myeloma therapy. This evidence concerns the gene GPRC5D and plasma cell myeloma.