In order to speed up the pace of industrial undertaking, forge Anhui Province into a preferred place for high-quality industrial transfer in the Yangtze River Delta, great attention should be paid to the sustainable development and utilization of water resources. This study selected 22 evaluation indicators based on the DPSIR-TOPSIS model to construct an evaluation system according to the relevant data from 2010 to 2020 and the actual development situation of Anhui Province. The main factors and obstacles affecting the carrying capacity of water resources in Anhui Province were analyzed by the obstacle model, the correlation degree of water resources carrying capacity of various cities by the spatial autocorrelation analysis, and the coupling coordination degree between subsystems by the coupling coordination model. The results show that the carrying capacity index of water resources in Anhui Province increased from 0.326 9 to 0.728 6, showing a benign trend; the main subsystems affecting the carrying capacity of water resources were pressure subsystem and impact subsystem, and the main impact factors were the area of nature reserve, industrial wastewater discharge and industrial SO2 discharge, which individual obstacle degrees accounted for 14.80%, 10.61% and 8.68%, respectively. The coupling coordination degree in Anhui Province was relatively stable but on the verge of imbalance. The carrying capacity of water resources in various cities in Anhui Province was generally good, but the internal spatial difference was significant. The key to strengthening the carrying capacity of water resources in Anhui Province lies in improving the level of ecological environment governance, and the research results can provide a scientific basis for the future allocation and efficient utilization of water resources in Anhui Province.