For small or rigid molecules, the conformer pool is small and DFT relaxation takes most of the computational time. When the molecule contains more conformational degrees of freedom (ring states, nitrogen inversion centers, flexible torsions), the number of conformers increases and so does the packing search time. For very large and flexible molecules like ritonavir, the conformer and crystal packing sampling would take much more computation resources than DFT relaxation. This also poses a challenge for composite systems such as Z'>1, hydrates, salts, and cocrystals. An effort is underway to further improve the performance of the crystal packing search. These improvements include workflow optimization, pre-computing and storing the geometry dependent molecular interactions in the memory to reuse them during geometry optimizations. This type of optimizations led to orders of magnitude performance improvements in molecular docking and preliminary results suggest such optimizations could boost the performance of crystal packing search by a factor of 3-5.