The heritage of ancient buildings is an important part of the world's history and culture, which has an extremely rich historical-cultural value and artistic research value. Beijing has a large number of palace ancient buildings, and because of the age of their construction, many of them have problems of varying degrees of peeling and mold on the inner surfaces of the envelope. To solve the problems of the damp and moldy interior of palace buildings, a mathematical model of indoor heat and moisture transfer was established based on a wooden palace ancient building in Beijing. Through the indoor mold distribution validation model, the effects of outdoor humidity, soil moisture, wall humidity, and other factors on the indoor heat and moisture transfer of ancient buildings were simulated and analyzed by using the control variables method. The results showed that the molds were distributed at the indoor corners and floors, and the simulation of indoor humidity match the measured humidity. Thus, the simulation results were consistent with the actual situation. The variable trend of the relative humidity of the indoor environment with the outdoor humidity is inconsistent from plane to plane, i.e. it increases or remains constant with the increase of the outdoor humidity. The indoor ambient relative humidity increased with increasing the wall humidity. And the indoor average temperature is 23.3 ℃ and indoor relative humidity ranged between 90.9 % to 92.44 %. Soil moisture and wall humidity were the main factors affecting the indoor environmental relative humidity.