Metal–organic frameworks (MOFs) or covalent–organic frameworks (COFs) have gained increasing attentions due to their high surface area, tunable structure, highly ordered pores and functional composition. Besides their applications in gas adsorption and separation, hydrogen storage, optics, magnetism and drug delivery, they have been widely employed as cathodes, anodes and separators for the research and development in lithium‐ion batteries (LIBs) due to the tunable structure, multi‐electron transfer, short pathway, and robust structural stability, etc. This review summarizes the general applied strategies and cases of MOF, COF and their composites as well as derivatives in LIBs. Compared to inorganic materials, the advantages of MOF/COF materials have made it possible to witness various successful cases with enhanced electrochemical performances. Moreover, this review provides some guidance for the controllable preparation and modification of MOF‐ and COF‐derived nanostructures through molecular engineering, rational design, and doping, as well as functional group modifications. In addition, we highlight timely progresses of the application of organic frameworks in LIBs, and also summarize many strategies of MOF/COF materials and their derivatives on enhancing the energy density, diffusion coefficient, rate performance and cycling stability for next‐generation LIBs with attractive features of high energy density, good rate performance, and superior cyclability.