Development of clean and renewable energy to attain a sustainable society is one of the most urgent tasks at present. In this respect, the production of hydrogen (H2) through electrochemical or photoelectrochemical water splitting is a promising way to utilize sustainable energy source such as sunlight. Recently, transition metal disulfides (TMDs) have received tremendous attention as hydrogen evolution reaction (HER) catalysts due to their favorable chemical and catalytic properties. Theoretical and experimental demonstrations have revealed that TMD-based catalysts exhibit excellent catalytic activity at edge sites. However, there is limitation that the basal plane which constitutes most of the TMD material remains chemically inert. Herein, we overview recent progress in tailoring catalytic activities of TMDs for electrochemical and photoelectrochemical hydrogen production and discuss the future strategies to overcome the conventional limitation of TMD-based catalysts.