Objective This study aims to establish an approach to integrate autonomous maximal smile (AMS) 3D facial image with digital 3D dental models to demonstrate the digital orthodontic set-up in the 3D facial context. Methods Using Geomagic Studio software, the AMS 3D facial image and pre-treatment dental model were manually and globally registered. Subsequently, the pre-treatment dental model was substituted with the predicted post-treatment dental model. The intraoral region of the AMS 3D facial image was removed, achieving a conjunctive display of the AMS 3D facial image and the post-treatment dental set-up. The distances between four groups of corresponding landmark pairs on the AMS 3D facial image and the pre-treatment dental set-up were calculated, and the accuracy of the registration operation was evaluated by paired t-test. Results The novel approach effectively facilitated the integration of AMS 3D facial images with the pre-treatment and predicted post-treatment 3D dental models. The average distances between the pairs of points were (1.19±0.55) mm and (1.55±0.59) mm for the two registrations, respectively. Notably, no statistically significant difference was observed between the two measurements (P>0.05), indicating a high agreement (intraclass correlation coefficient=0.914). Conclusion This study established an approach to integrate AMS 3D facial images with digital 3D dental models. Through this approach, the digital orthodontic set-up design can be displayed in the context of a 3D facial image, which may help to improve the quality of outcome set-up in digital orthodontics, such as clear aligner therapy.