Graphene nanoplatelets (GrNs) emerge as promising conductive fillers to significantly enhance the electrical conductivity and strength of cementitious composites, contributing to the development of highly efficient composites and the advancement of non-destructive structural health monitoring techniques. However, the complexities involved in these nanoscale cementitious composites are markedly intricate. Conventional regression models encounter limitations in fully understanding these intricate compositions. Thus, the current study employed four machine learning (ML) methods such as decision tree (DT), categorical boosting machine (CatBoost), adaptive neuro-fuzzy inference system (ANFIS), and light gradient boosting machine (LightGBM) to establish strong prediction models for compressive strength (CS) of graphene nanoplatelets-based materials. An extensive dataset containing 172 data points was gathered from published literature for model development. The majority portion (70%) of the database was utilized for training the model while 30% was used for validating the model efficacy on unseen data. Different metrics were employed to assess the performance of the established ML models. In addition, SHapley Additve explanation (SHAP) for model interpretability. The DT, CatBoost, LightGBM, and ANFIS models exhibited excellent prediction efficacy with R-values of 0.8708, 0.9999, 0.9043, and 0.8662, respectively. While all the suggested models demonstrated acceptable accuracy in predicting compressive strength, the CatBoost model exhibited exceptional prediction efficiency. Furthermore, the SHAP analysis provided that the thickness of GrN plays a pivotal role in GrNCC, significantly influencing CS and consequently exhibiting the highest SHAP value of + 9.39. The diameter of GrN, curing age, and w/c ratio are also prominent features in estimating the strength of graphene nanoplatelets-based cementitious materials. This research underscores the efficacy of ML methods in accurately forecasting the characteristics of concrete reinforced with graphene nanoplatelets, providing a swift and economical substitute for laborious experimental procedures. It is suggested that to improve the generalization of the study, more inputs with increased datasets should be considered in future studies.